(3β,18α,20β)-3,18-Dihydroxy-11-oxoolean-12-en-29-oic acid

CAS Registry Number®

17991-67-2

CAS Name

(3β,18α,20β)-3,18-Dihydroxy-11-oxoolean-12-en-29-oic acid

Molecular Formula

C30H46O5

Molecular Mass

486.68

Cite this Page

(3β,18α,20β)-3,18-Dihydroxy-11-oxoolean-12-en-29-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17991-67-2 (retrieved 2024-12-23) (CAS RN: 17991-67-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252-255 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O5/c1-24(2)19-8-11-29(7)22(27(19,5)10-9-21(24)32)18(31)16-20-28(29,6)15-14-26(4)13-12-25(3,23(33)34)17-30(20,26)35/h16,19,21-22,32,35H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22+,25-,26+,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=FCVHQYZUEPQNJU-FLXZDBSJSA-N

SMILES

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

Canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1)C

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3,18-dihydroxy-11-oxo-, (3β,18α,20β)-
  • 18α-Olean-12-en-30-oic acid, 3β,18-dihydroxy-11-oxo-, (+)-
  • (3β,18α,20β)-3,18-Dihydroxy-11-oxoolean-12-en-29-oic acid

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.