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Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI) | 102492-19-3

Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI)结构式图片|102492-19-3结构式图片
Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI)
102492-19-3
C29H44O8
520.65486
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI)结构式
128107
名称和标识符
InChIKey ZHVOBYWXERUHMN-UHFFFAOYSA-N
Inchi InChI=1S/C29H44O8/c1-28-9-7-17(36-27-26(34)25(33)24(32)22(13-30)37-27)12-16(28)3-4-18-20-6-5-19(15-11-23(31)35-14-15)29(20,2)10-8-21(18)28/h11,16-22,24-27,30,32-34H,3-10,12-14H2,1-2H3
SMILES OCC1OC(OC2CCC3(C4CCC5(C(C6COC(=O)C=6)CCC5C4CCC3C2)C)C)C(O)C(O)C1O
别名信息
- 中文别名 -
- 英文别名 -
  • Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI)
  • 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3, 4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14 ,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl
  • (3beta,5beta,14alpha)-3-(beta-D-glucopyranosyloxy)card-20(22)-enolide
  • 14-dehydroxy-3-glucodigitoxigenin
  • 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3, 4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14 ,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2 -one
  • DTXSID50907616
  • Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-, (3beta,5beta)-
  • 14-Dehydroxy-3-glucodigitoxigenin
  • SCHEMBL11432865
  • 102492-19-3
  • 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3, 4,5-trihydroxy-6-(hydroxymeth
  • 3-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
  • 3-(Hexopyranosyloxy)card-20(22)-enolide
  • Dig-3
物化性质
实验特性
PSA 125.68
计算特性
精确分子量 520.30372
氢键供体数量 4
氢键受体数量 8
可旋转化学键数量 4
同位素质量 520.30361836g/mol
重原子数量 37
复杂度 922
同位素原子数量 0
确定原子立构中心数量 13
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) 3.4
拓扑分子极性表面积 126Ų
专业数据库参考
PubChemId 128107
化合物详情(旧版)

SMILES

OCC1C(O)C(O)C(O)C(O1)OC2CC3C(CC2)(C)C4C(CC3)C5C(CC4)(C)C(CC5)C6=CC(=O)OC6

960化工网为您提供Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI)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.:102492-19-3,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:102492-19-3
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