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15,19-环氧-1H,3H-吡咯并[2,1-c][1,4]氧杂环三嗪-1,7,20,21(4H)-四酮,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,10,12,18-四甲基-8-(2-丙烯-1-基)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,25aS)- | 104987-10-2

15,19-环氧-1H,3H-吡咯并[2,1-c][1,4]氧杂环三嗪-1,7,20,21(4H)-四酮,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,10,12,18-四甲基-8-(2-丙烯-1-基)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,25aS)-结构式图片|104987-10-2结构式图片
15,19-环氧-1H,3H-吡咯并[2,1-c][1,4]氧杂环三嗪-1,7,20,21(4H)-四酮,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,10,12,18-四甲基-8-(2-丙烯-1-基)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,25aS)-
15,19-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H)-tetrone,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,25aS)-
104987-10-2
C43H67NO12
789.99158
6441170
名称和标识符
InChIKey AOPMJTXVTVQAGD-AMASXYNMSA-N
Inchi InChI=1S/C43H67NO12/c1-10-12-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h10,18,20,25,27-33,35-39,45-46,51H,1,11-17,19,21-23H2,2-9H3/b24-18+,26-20+
SMILES C=CCC1C=C(C)CC(C)CC(OC)C2OC(C(CC2OC)C)(O)C(=O)C(=O)N2CCCC2C(=O)OC(/C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC1=O |c:4|
别名信息
- 中文别名 -
- 英文别名 -
  • 15,19-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H)-tetrone,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,25aS)-
  • 15,19-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H)-tetrone,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a
  • BRN 4225908
  • 15,19-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H)-tetrone,5,6,8,11,12,13,14,15,16,17,
  • 15,19-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H)-tetrone,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,25aS)- (9CI)
  • 15,19-Epoxy-1H,3H-pyrrolo(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-
  • CHEBI:221834
  • SCHEMBL7430216
  • FR-900525
  • FR 900525
  • 104987-10-2
  • 15,19-Epoxy-1H,3H-pyrrolo(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-
  • (17Z)-1,13-Dihydroxy-11-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-22,24-dimethoxy-12,18,20,26-tetramethyl-16-prop-2-enyl-10,27-dioxa-4-azatricyclo[21.3.1.04,8]heptacos-17-ene-2,3,9,15-tetrone
  • SCHEMBL7430207
  • FK 525
物化性质
实验特性
LogP 4.18680
PSA 178.36000
折射率 1.55
沸点 863.4°C at 760 mmHg
闪点 476°C
密度 1.2
计算特性
精确分子量 789.466327
氢键供体数量 3
氢键受体数量 12
可旋转化学键数量 7
同位素质量 789.466327
重原子数量 56
复杂度 1460
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 14
确定化学键立构中心数量 2
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) 2.4
拓扑分子极性表面积 178
专业数据库参考
PubChemId 6441170
15,19-环氧-1H,3H-吡咯并[2,1-c][1,4]氧杂环三嗪-1,7,20,21(4H)-四酮,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,10,12,18-四甲基-8-(2-丙烯-1-基)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,25aS)-推荐生产厂家
960化工网为您提供15,19-环氧-1H,3H-吡咯并[2,1-c][1,4]氧杂环三嗪-1,7,20,21(4H)-四酮,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-十六氢-5,19-二羟基-3-[(1E)-2-[(1R,3R,4R)-4-羟基-3-甲氧基环己基]-1-甲基乙烯基]-14,16-二甲氧基-4,10,12,18-四甲基-8-(2-丙烯-1-基)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,25aS)-专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:104987-10-2,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:104987-10-2
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