Soyasapogenol B

CAS Registry Number®

595-15-3
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CAS Name

Soyasapogenol B

Molecular Formula

C30H50O3

Molecular Mass

458.72

Cite this Page

Soyasapogenol B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=595-15-3 (retrieved 2024-04-29) (CAS RN: 595-15-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    259-260 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H50O3/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/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=YOQAQNKGFOLRGT-UXXABWCISA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)[C@H](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

OCC1(C)C(O)CCC2(C)C3CC=C4C5CC(C)(C)CC(O)C5(C)CCC4(C)C3(C)CCC12

Other Names for this Substance

  • Olean-12-ene-3,22,23-triol, (3β,4β,22β)-
  • Olean-12-ene-3β,22β,24-triol
  • Soyasapogenol B
  • (3β,4β,22β)-Olean-12-ene-3,22,23-triol
  • 3β,22β,24-Trihydroxyolean-12-ene

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Deleted or Replaced CAS Registry Numbers

1174209-23-4

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