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Substance Name: Soyasapogenol E
RN: 6750-59-0
UNII: 413AYB79AH
InChIKey: FNRBOAGVUNHDIL-LMZUXBMISA-N

Molecular Formula

  • C30-H48-O3

Molecular Weight

  • 456.7062
 
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Names and Synonyms

Name of Substance

  • Soyasapogenol E

Synonyms

  • Soyasapogenol E
  • UNII-413AYB79AH

Systematic Name

  • Olean-12-en-22-one, 3,23-dihydroxy-, (3beta,4beta)-

Registry Numbers

CAS Registry Number

  • 6750-59-0

FDA UNII

  • 413AYB79AH

Other Registry Number

  • 1174209-21-2

System Generated Number

  • 0006750590

Structure Descriptors

InChI

1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1

InChIKey

FNRBOAGVUNHDIL-LMZUXBMISA-N

Smiles

CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1