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Substance Name: Drevogenin I
RN: 125310-02-3
InChIKey: OTZYYNTXVLTKKL-KVKDWLGPSA-N

Note

  • From Dregea sinensis.

Molecular Formula

  • C31-H52-O10

Molecular Weight

  • 584.742
 
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Names and Synonyms

Name of Substance

  • Drevogenin I

Synonym

  • 3,8,14,17-Tetrahydroxy-12-O-isovaleryl-20-O-isovalerylpregnane

Systematic Name

  • Pregnane-3,8,12,14,17,20-hexol, 12,20-bis(3-methylbutanoate), (3beta,5alpha,12beta,14beta,17alpha)-

Registry Numbers

CAS Registry Number

  • 125310-02-3

System Generated Number

  • 0125310023

Structure Descriptors

InChI

1S/C31H52O10/c1-18(12-23(33)34)15-26(4,37)30(40)10-11-31(41)27(30,5)28(38,16-19(2)13-24(35)36)17-22-25(3)8-7-21(32)14-20(25)6-9-29(22,31)39/h18-22,32,37-41H,6-17H2,1-5H3,(H,33,34)(H,35,36)/t18?,19?,20-,21-,22+,25-,26?,27+,28+,29?,30-,31+/m0/s1

InChIKey

OTZYYNTXVLTKKL-KVKDWLGPSA-N

Smiles

C1[C@@H](C[C@@H]2CC[C@@]3([C@@]4(CC[C@@]([C@@](C)(O)C[C@@H](CC(=O)O)C)([C@@]4(C)[C@@](C[C@H]3[C@@]2(C1)C)(O)C[C@@H](CC(=O)O)C)O)O)O)O