Caulophyllogenin

CAS Registry Number®

52936-64-8
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CAS Name

Caulophyllogenin

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

Caulophyllogenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52936-64-8 (retrieved 2024-07-08) (CAS RN: 52936-64-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=FABOBEOYNMHSHB-UAWZMHPWSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](CO)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,16,23-trihydroxy-, (3β,4α,16α)-
  • (3β,4α,16α)-3,16,23-Trihydroxyolean-12-en-28-oic acid
  • Caulophyllogenin
  • Collinsogenin