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Substance Name: Drevogenin II
RN: 125472-06-2
InChIKey: MIOQFHJTRPQSEN-PCGKZSNXSA-N

Note

  • From Dregea sinensis.

Molecular Formula

  • C30-H42-O7

Molecular Weight

  • 514.655
 
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Names and Synonyms

Name of Substance

  • Drevogenin II

Synonym

  • 3,14,17-Trihydroxy-12-O-acetyl-20-O-benzoylpregnane

Systematic Name

  • Pregnane-3,12,14,17,20-pentol, 12-acetate 20-benzoate, (3beta,5alpha,12beta,14beta,17alpha)-

Registry Numbers

CAS Registry Number

  • 125472-06-2

System Generated Number

  • 0125472062

Structure Descriptors

InChI

1S/C30H42O7/c1-18(36-26(33)20-8-6-5-7-9-20)29(34)14-15-30(35)23-11-10-21-16-22(32)12-13-27(21,3)24(23)17-25(28(29,30)4)37-19(2)31/h5-9,18,21-25,32,34-35H,10-17H2,1-4H3/t18?,21-,22-,23+,24-,25+,27-,28+,29-,30-/m0/s1

InChIKey

MIOQFHJTRPQSEN-PCGKZSNXSA-N

Smiles

C1[C@@H](C[C@@H]2CC[C@H]3[C@@]4(CC[C@@]([C@@H](C)OC(c5ccccc5)=O)([C@@]4(C)[C@@H](C[C@H]3[C@@]2(C1)C)OC(C)=O)O)O)O