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Substance Name: Hancoside A
RN: 145701-08-2
InChIKey: SDTRDZCVVFORLC-HASDMLKASA-N

Note

  • Isolated from Cynanchum hancockianum.

Molecular Formula

  • C44-H62-O18

Molecular Weight

  • 878.956
 
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Names and Synonyms

Name of Substance

  • Hancoside A

Synonym

  • 3beta,14beta,15beta-Trihydroxypregn-5-en-20-one-3-O-beta-D-(6-sinapoyl)glucopyranosyl(1-2)-beta-D-glucopyranoside

Systematic Name

  • Pregn-5-en-20-one, 14,15-dihydroxy-3-((2-O-(6-O-(3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-, (3beta(E),14beta,15beta)-

Registry Numbers

CAS Registry Number

  • 145701-08-2

System Generated Number

  • 0145701082

Structure Descriptors

InChI

1S/C44H62O18/c1-20(46)26-17-31(47)44(55)25-8-7-22-16-23(10-12-42(22,2)24(25)11-13-43(26,44)3)59-41-39(37(53)34(50)29(18-45)60-41)62-40-38(54)36(52)35(51)30(61-40)19-58-32(48)9-6-21-14-27(56-4)33(49)28(15-21)57-5/h6-7,9,14-15,23-26,29-31,34-41,45,47,49-55H,8,10-13,16-19H2,1-5H3/b9-6+/t23-,24-,25+,26+,29+,30+,31+,34+,35+,36-,37-,38+,39+,40-,41+,42-,43+,44+/m0/s1

InChIKey

SDTRDZCVVFORLC-HASDMLKASA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@]4([C@@H](C[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)COC(\C=C\c2cc(c(c(c2)OC)O)OC)=O)[C@@H](O)[C@H](O)[C@H](O1)CO