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芦荟苷 B | 28371-16-6

芦荟苷 B
Aloin B
28371-16-6
C21H22O9
418.3940
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:芦荟苷 B结构式
芦荟苷 BMSDS
14989
芦荟苷 B价格
简介
芦荟素B(Aloin B)是芦荟素的一种异构体,芦荟素是芦荟中的具生理活性蒽醌化合物。
名称和标识符
MDL MFCD00869345
InChIKey AFHJQYHRLPMKHU-WEZNYRQKSA-N
Inchi 1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1
SMILES O1[C@]([H])(C([H])([H])O[H])[C@]([H])([C@@]([H])([C@]([H])([C@]1([H])[C@]1([H])C2C([H])=C([H])C([H])=C(C=2C(C2C(=C([H])C(C([H])([H])O[H])=C([H])C1=2)O[H])=O)O[H])O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 芦荟苷B
  • 芦荟素B对照品
  • 芦荟素B
  • 芦荟甙 B
- 英文别名 -
  • 9(10H)-Anthracenone,10-b-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-,(10R)-
  • 10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
  • Aloin B
  • ALOIN B(P)
  • ALOIN B(P)(NEW)
  • Isobarbaloin
  • ISOBARBALOIN (REFERENCE GRADE)
  • aloin
  • 69VIB0J2WK
  • Aloinum
  • Aloin [BAN]
  • 10-(1',5'-Anhydroglucosyl)
  • (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
  • (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
  • (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
  • C17778
  • C17778
  • C17778
  • DTXSID70904581
  • DTXSID70904581
  • DTXSID70904581
  • 10R-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
  • 10R-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
  • 10R-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
  • Aloin-B
  • Isobarbaloin
  • Aloin-B
  • Isobarbaloin
  • Aloin-B
  • Isobarbaloin
  • Aloin, from Curacao aloe, ~50%
  • Aloin, from Curacao aloe, ~50%
  • Aloin, from Curacao aloe, ~50%
  • NCGC00183867-01
  • NCGC00183867-01
  • NCGC00183867-01
  • (R)-1,8-dihydroxy-3-(hydroxymethyl)-10-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)anthracen-9(10H)-one
  • (R)-1,8-dihydroxy-3-(hydroxymethyl)-10-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)anthracen-9(10H)-one
  • (R)-1,8-dihydroxy-3-(hydroxymethyl)-10-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)anthracen-9(10H)-one
  • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (R)-
  • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (R)-
  • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (R)-
  • AKOS026749813
  • AKOS026749813
  • AKOS026749813
  • NCGC00389730-01
  • NCGC00389730-01
  • NCGC00389730-01
  • 8015-61-0
  • 8015-61-0
  • 8015-61-0
  • A-Barbaloin
  • A-Barbaloin
  • A-Barbaloin
  • W-202188
  • W-202188
  • W-202188
  • NS00002298
  • NS00002298
  • NS00002298
  • 10-ss-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
  • 10-ss-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
  • 10-ss-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
  • HY-N0886
  • HY-N0886
  • HY-N0886
  • AFHJQYHRLPMKHU-WEZNYRQKSA-N
  • AFHJQYHRLPMKHU-WEZNYRQKSA-N
  • AFHJQYHRLPMKHU-WEZNYRQKSA-N
  • H12077
  • H12077
  • H12077
  • (10R)-10-beta-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9(10H)-ANTHRACENONE
  • (10R)-10-beta-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9(10H)-ANTHRACENONE
  • (10R)-10-beta-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9(10H)-ANTHRACENONE
  • 9(10H)-Anthracenone, 10-.beta.-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-
  • 9(10H)-Anthracenone, 10-.beta.-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-
  • 9(10H)-Anthracenone, 10-.beta.-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-
  • (10R)-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-10-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-9,10-DIHYDROANTHRACEN-9-ONE
  • (10R)-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-10-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-9,10-DIHYDROANTHRACEN-9-ONE
  • (10R)-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-10-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-9,10-DIHYDROANTHRACEN-9-ONE
  • BARBALOIN B
  • BARBALOIN B
  • BARBALOIN B
  • CS-3708
  • CS-3708
  • CS-3708
  • A916079
  • A916079
  • A916079
  • Aloin B
  • Isobarbaloin
  • Aloin B
  • Isobarbaloin
  • Aloin B
  • Isobarbaloin
  • UNII-69VIB0J2WK
  • UNII-69VIB0J2WK
  • UNII-69VIB0J2WK
  • A901212
  • A901212
  • A901212
  • BDBM50120492
  • BDBM50120492
  • BDBM50120492
  • 9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-, (10R)-
  • 9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-, (10R)-
  • 9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-, (10R)-
  • (1S)-1,5-anhydro-1-((9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl)-D-glucitol
  • (1S)-1,5-anhydro-1-((9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl)-D-glucitol
  • (1S)-1,5-anhydro-1-((9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl)-D-glucitol
  • AC-34434
  • AC-34434
  • AC-34434
  • 1,8-Dihydroxy-10-(ss-D-glucopyranosyl)-3-(hydroxymethyl)-9(10H)-anthracenone
  • 1,8-Dihydroxy-10-(ss-D-glucopyranosyl)-3-(hydroxymethyl)-9(10H)-anthracenone
  • 1,8-Dihydroxy-10-(ss-D-glucopyranosyl)-3-(hydroxymethyl)-9(10H)-anthracenone
  • Q27144440
  • Q27144440
  • Q27144440
  • Barbaloin
  • Barbaloin
  • Barbaloin
  • SCHEMBL181616
  • SCHEMBL181616
  • SCHEMBL181616
  • CHEBI:74131
  • CHEBI:74131
  • CHEBI:74131
  • (1S)-1,5-anhydro-1-[(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol
  • (1S)-1,5-anhydro-1-[(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol
  • (1S)-1,5-anhydro-1-[(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol
  • ALOIN B [MI]
  • ALOIN B [MI]
  • ALOIN B [MI]
  • DTXCID901333710
  • DTXCID901333710
  • DTXCID901333710
  • FT-0655437
  • FT-0655437
  • FT-0655437
  • CHEMBL3617994
  • CHEMBL3617994
  • CHEMBL3617994
  • 9(10H)-ANTHRACENONE, 10-beta-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-, (10R)-
  • 9(10H)-ANTHRACENONE, 10-beta-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-, (10R)-
  • 9(10H)-ANTHRACENONE, 10-beta-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-, (10R)-
  • 28371-16-6
  • 28371-16-6
  • 28371-16-6
  • (10R)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9(10H)-ANTHRACENONE
  • (10R)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9(10H)-ANTHRACENONE
  • (10R)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9(10H)-ANTHRACENONE
  • GS-6457
  • GS-6457
  • GS-6457
  • Aloin-B
  • Aloin-B
  • Aloin-B
  • Barbaloin A
  • Barbaloin A
  • Barbaloin A
  • Aloin A
  • Aloin A
  • Aloin A
  • Aloin
  • Aloin
  • Aloin
物化性质
实验特性
LogP -0.89120
PSA 167.91000
沸点 752.6±60.0℃ at 760 mmHg
熔点 147--148℃
蒸气压 0.0±2.6 mmHg at 25°C
闪点 268.0±26.4 °C
溶解度 几乎不溶 (0.031 g/L) (25 ºC),
颜色与性状 Yellow powder
密度 1.647±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 418.12600
氢键供体数量 7
氢键受体数量 9
可旋转化学键数量 3
同位素质量 418.12638228 g/mol
重原子数量 30
复杂度 630
同位素原子数量 0
确定原子立构中心数量 6
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -0.1
拓扑分子极性表面积 168
分子量 418.4
国际标准相关数据
EINECS 227189
相关文献
专业数据库参考
PubChemId 14989
参考资料
Reaxys RN
化合物详情(旧版)

SMILES

OCC1C=C2[C@@H](C3C(O)C(O)C(O)C(CO)O3)C4=C(C(O)=CC=C4)C(=O)C2=C(O)C=1

扩展阅读
芦荟苷 B http://www.biopurify.cn/p-2241.html
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