(3beta,5beta)-3-[(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide（CAS号：18404-43-8）

洋地黄毒苷元-洋地黄毒糖苷

基本信息

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CAS号

18404-43-8

分子式

C29H44O7

分子量

504.66 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

沸点

673.3°Cat760mmHg

密度

1.27

闪点

218.5°C

溶解度

N/A

折射率

1.588

SMILES

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CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O

InChI

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

InChIKey

NQOMDNMTNVQXRR-WQLPVBBFSA-N

LogP

3.485300000000003

拓扑极性表面积

105.45000000000002 Å²

氢键供体/受体

3 / 7

复杂度

919

安全信息

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储存条件

N/A

同义词与引用数据

英文

Digitoxigenin Mono-b-D-digitoxoside
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
Evatromonoside
CHEMBL1651624
DIGITOXIGENIN MONO-.BETA.-D-DIGITOXOSIDE
D-RIBO-HEXOPYRANOSIDE, DIGITOXIGENIN-3 2,6-DIDEOXY-, .BETA.-
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
(3.BETA.,5.BETA.)-3-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
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 monodigitoxoside
Beta-D-Digitoxose
NS00052169
18404-43-8
CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.)-
R83CK7MGW3
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
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
Evatromonoside,Digitoxigenin 2,6-dideoxy-β-D-ribo-hexopyranoside,Digitoxigenin digitoxoside