18404-43-8 (洋地黄毒苷单-β-D-洋地黄毒苷,Digitoxigenin Mono-β-D-digitoxoside)

CAS号:
18404-43-8
中文名称:
洋地黄毒苷单-β-D-洋地黄毒苷
英文名称:
Digitoxigenin Mono-β-D-digitoxoside
分子式:
C29H44O7
分子量:
504.655469894409

洋地黄毒苷单-β-D-洋地黄毒苷(18404-43-8)名称与标识符

名称

中文别名:
EVA塑料原料;
英文别名:
Card-20(22)-enolide,3-[(2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3b,5b)-;(5beta)-3beta-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;(3alpha,5beta,8xi,9xi)-3-[(2,6-dideoxy-beta-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;(3beta,5beta)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;digitoxigenin monodigitoxoside;Digitoxigenin-Monodigitoxosid;Evatromonoside;3β-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide;3β-(2,6-Dideoxy-β-D-ribo-hexopyranosyloxy)-14-hydroxy-5β-cardanolide-20(22)-ene;3-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-Dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;DIGITOXIGENIN MONO-.BETA.-D-DIGITOXOSIDE;CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.)-;R83CK7MGW3;Beta-D-Digitoxose;D-RIBO-HEXOPYRANOSIDE, DIGITOXIGENIN-3 2,6-DIDEOXY-, .BETA.-;18404-43-8;(3.BETA.,5.BETA.)-3-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE;4-((1R,3AS,3BR,5AR,7S,9AS,9BS,11AR)-7-(((2R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOXAN-2-YL)OXY)-3A-HYDROXY-9A,11A-DIMETHYL-HEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-1-YL)-2,5-DIHYDROFURAN-2-ONE;NS00052169;Digitoxigenin Mono-b-D-digitoxoside;CHEMBL1651624;3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;Deglucocoroloside;CHEBI:173218;Desglucocoroloside;Digitoxigenin boivinoside;3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one;

标识符

InChIKey:
NQOMDNMTNVQXRR-WQLPVBBFSA-N
Inchi:
1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16-,18-,19+,20-,21+,22-,23+,25+,26-,27+,28-,29+/m1/s1
SMILES:
O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O)O

洋地黄毒苷单-β-D-洋地黄毒苷(18404-43-8)物化性质

实验特性

  • 折射率 : 1.588
  • 沸点 : 673.3°Cat760mmHg
  • 熔点 : NA
  • 蒸气压 : 0.0±4.7 mmHg at 25°C
  • 闪点 : 218.5°C
  • 颜色与性状 : No data available
  • 密度 : 1.27

计算特性

  • 精确分子量 : 504.308704
  • 氢键供体数量 : 3
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 3
  • 同位素质量 : 504.308704
  • 重原子数量 : 36
  • 复杂度 : 919
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 不确定原子立构中心数量 : 4
  • 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) : 2.5
  • 拓扑分子极性表面积 : 105

洋地黄毒苷单-β-D-洋地黄毒苷(18404-43-8)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
上海甄准生物科技有限公司 13816009161
021-68920155
姜经理13816009161 3001086693
询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
青岛市锦诚辉化工有限公司 13573823978
0532-89735134
吴宏盛 2860241828 询单
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