(3β,16β)-3,16-Dihydroxyolean-12-en-28-oic acid

CAS Registry Number®

545-88-0
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CAS Name

(3β,16β)-3,16-Dihydroxyolean-12-en-28-oic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

(3β,16β)-3,16-Dihydroxyolean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=545-88-0 (retrieved 2024-09-09) (CAS RN: 545-88-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    303-306 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=YKOPWPOFWMYZJZ-FMMUPTMQSA-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(C)(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)(C)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,16-dihydroxy-, (3β,16β)-
  • Cochalic acid
  • (3β,16β)-3,16-Dihydroxyolean-12-en-28-oic acid