Soyasapogenol E

CAS Registry Number®

6750-59-0

CAS Name

Soyasapogenol E

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

Soyasapogenol E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6750-59-0 (retrieved 2024-11-25) (CAS RN: 6750-59-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=FNRBOAGVUNHDIL-LMZUXBMISA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)C(=O)CC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@](CO)(C)[C@@H](O)CC5)[H])[H]

Canonical SMILES

O=C1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C

Other Names for this Substance

  • Olean-12-en-22-one, 3,23-dihydroxy-, (3β,4β)-
  • Olean-12-en-22-one, 3,24-dihydroxy-, (3β,4β)-
  • Soyasapogenol E
  • (3β,4β)-3,23-Dihydroxyolean-12-en-22-one
  • 3β,24-Dihydroxyolean-12-en-22-one

Deleted or Replaced CAS Registry Numbers

1174209-21-2

CAS INSIGHTSTM
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