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凤仙萜四醇皂苷A | 156791-82-1

凤仙萜四醇皂苷A结构式图片|156791-82-1结构式图片
中文名称:凤仙萜四醇皂苷A
英文名称:Hosenkoside A
CAS No.:156791-82-1 分子式:C48H82O20 分子量:979.1527
植物源: 急性子  
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:凤仙萜四醇皂苷A结构式
价格行情:凤仙萜四醇皂苷A价格
国内供应商 47 家
凤仙萜四醇皂苷A的其他展现形式
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名称和标识符
Inchi 1S/C48H82O20/c1-22(16-49)24-8-13-48(21-62-24)15-14-46(4)23(40(48)61)6-7-29-44(2)11-10-30(45(3,28(44)9-12-47(29,46)5)20-63-41-37(59)34(56)31(53)25(17-50)64-41)67-43-39(36(58)33(55)27(19-52)66-43)68-42-38(60)35(57)32(54)26(18-51)65-42/h22-43,49-61H,6-21H2,1-5H3/t22-,23+,24-,25+,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+/m0/s1
InChIKey JUKFJOYCFLIWIA-MDQYKXRHSA-N
SMILES O([H])[C@@]1([H])[C@@]2(C([H])([H])O[C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])O[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])([C@@](C([H])([H])[H])(C([H])([H])O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O4)O[H])O[H])O[H])[C@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
别名信息
- 中文别名 -
凤仙萜四醇苷A 凤仙萜四醇皂苷A 凤仙萜四醇皂苷A标准品对照品 凤仙萜四醇苷 A, 来源于急性子
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- 英文别名 -
b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'S,6aR,7R,8S,10aR,10bR,12aS)-7-[(b-D-glucopyranosyloxy)methyl]octadecahydro-1-hydroxy-6'-[(1S)-2-hydroxy-1-methylethyl]-4a,4b,7,10a-tetramethylspiro[chrysene-2(1H),3'(4'H)-[2H]pyran]-8-yl2-O-b-D-glucopyranosyl- (9CI) b-D-Glucopyranoside, (3b,4a,18b,19S,20S)-19,28-epoxy-23-(b-D-glucopyranosyloxy)-18,29-dihydroxy-18,19-secolupan-3-yl 2-O-b-D-glucopyranosyl- 18,19-Secolupane, b-D-glucopyranoside deriv. Spiro[chrysene-2(1H),3'(4'H)-[2H]pyran], b-D-glucopyranoside deriv. Hosenkoside A b-D-Glucopyranoside,[[1R,2S-[S-(S)],4aR,4bR,6aR,7R,8S,10aR,10bR,12aS]-8-[(2-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]octadecahydro-1-hydroxy-6'-(2-hydroxy-1-methylethyl)-4a,4b,7,10a-tetramethylspiro[chrysene-2(1H),3'(4'H)-[2H]pyran]-7-yl]methyl 8,19-Secolupane, β-D-glucopyranoside deriv. b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'S,6aR,7R,8S,10aR,10bR,12aS)-7-[(b-D-glucopyranosyloxy)methyl]octadecahydro-1-hydroxy-6'- b-D-Glucopyranoside,(1R,2S,4aR,4bR,6'S,6aR,7R,8S,10aR,10bR,12aS)-7-[(b-D-glucopyranosyloxy)methyl]octadecahydro-1-hydroxy-6'-[(1S)-2-hydroxy-1-methylethyl]-4a,4b,7,10a-tetramethylspiro[chrysene-2(1H), b-D-Glucopyranoside,[[1R,2S-[S-(S)],4aR,4bR,6aR,7R,8S,10aR,10bR,12aS]-8-[(2-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]octadecahydro-1-hydroxy-6'-(2-hydroxy-1-methyl
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物化性质
 计算特性
精确分子量 978.54000
同位素质量 978.53994500 g/mol
同位素原子数量 0
氢键供体数量 13
氢键受体数量 20
重原子数量 68
可旋转化学键数量 12
复杂度 1700
共价键单元数量 1
确定原子立构中心数量 27
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
疏水参数计算参考值(XlogP) 0.2
拓扑分子极性表面积 328
分子量 979.2
 实验特性
颜色与性状 Powder
密度 1.44±0.1 g/cm3 (20 ºC 760 Torr),
溶解度 Insuluble (9.8E-3 g/L) (25 ºC),
PSA 327.60000
LogP -1.98410
凤仙萜四醇皂苷A生产厂家
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