508-76-9 (Card-20(22)-烯醇化物,3-[(2,6-二脱氧-b-D-木糖基-己糖基)氧基]-5,14-二羟基-19-氧代-,(3b,5b)-(9CI),Card-20(22)-enolide,3-[(2,6-dideoxy-b-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-,(3b,5b)- (9CI))

CAS号:
508-76-9
中文名称:
Card-20(22)-烯醇化物,3-[(2,6-二脱氧-b-D-木糖基-己糖基)氧基]-5,14-二羟基-19-氧代-,(3b,5b)-(9CI)
英文名称:
Card-20(22)-enolide,3-[(2,6-dideoxy-b-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-,(3b,5b)- (9CI)
分子式:
C29H42O9
分子量:
534.63839006424

Card-20(22)-烯醇化物,3-[(2,6-二脱氧-b-D-木糖基-己糖基)氧基]-5,14-二羟基-19-氧代-,(3b,5b)-(9CI)(508-76-9)名称与标识符

名称

英文别名:
Card-20(22)-enolide,3-[(2,6-dideoxy-b-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-,(3b,5b)- (9CI);Corchoroside;CorchorosideA (6CI,8CI);Korchoroside A;Corchorozide A;Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-xylohexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta);Corchorosid A [German];Corchorosid A;(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde;508-76-9;SCHEMBL22142598;3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde;Erizimin;Strophanthidin 3-beta-digitoxoside;CHEBI:186156;3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde;Strophanthidin boivinoside;Erysimin;NS00041931;Strophanthidin-beta-D-digitoxosid;Helvetikosid;Corchoroside A;FT-0603497;(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-4,5-Dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde;

标识符

InChIKey:
QBILRDAMJUPXCX-PXLUOVCNSA-N
Inchi:
1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16?,18-,19+,20-,21+,22?,24-,25+,26+,27-,28-,29-/m0/s1
SMILES:
O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C=O)CC[C@@H](C[C@]3(CC[C@@H]21)O)O[C@H]1CC([C@@H](C(C)O1)O)O

Card-20(22)-烯醇化物,3-[(2,6-二脱氧-b-D-木糖基-己糖基)氧基]-5,14-二羟基-19-氧代-,(3b,5b)-(9CI)(508-76-9)物化性质

计算特性

  • 精确分子量 : 534.28288291g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 4
  • 同位素质量 : 534.28288291g/mol
  • 重原子数量 : 38
  • 复杂度 : 1010
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 10
  • 不确定原子立构中心数量 : 2
  • 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) : 0.3
  • 拓扑分子极性表面积 : 143Ų

Card-20(22)-烯醇化物,3-[(2,6-二脱氧-b-D-木糖基-己糖基)氧基]-5,14-二羟基-19-氧代-,(3b,5b)-(9CI)(508-76-9)推荐厂家 更多厂家(1)

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Card-20(22)-烯醇化物,3-[(2,6-二脱氧-b-D-木糖基-己糖基)氧基]-5,14-二羟基-19-氧代-,(3b,5b)-(9CI)(508-76-9)相关文献