Olean-12-en-29-oic acid, 3,22,23-trihydroxy-11-oxo-, γ-lactone, (3β,4β,20β,22β)-

CAS Registry Number®

98063-18-4
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CAS Name

Olean-12-en-29-oic acid, 3,22,23-trihydroxy-11-oxo-, γ-lactone, (3β,4β,20β,22β)-

Molecular Formula

C30H44O5

Molecular Mass

484.67

Cite this Page

Olean-12-en-29-oic acid, 3,22,23-trihydroxy-11-oxo-, γ-lactone, (3β,4β,20β,22β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98063-18-4 (retrieved 2024-09-19) (CAS RN: 98063-18-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H44O5/c1-25-14-18-17-13-19(32)23-27(3)9-8-21(33)28(4,16-31)20(27)7-10-30(23,6)29(17,5)12-11-26(18,2)22(15-25)35-24(25)34/h13,18,20-23,31,33H,7-12,14-16H2,1-6H3/t18-,20+,21-,22+,23+,25+,26+,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=NZAZEJAWWUVNNZ-UFMLWSCPSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)[C@]5(C[C@@](C)(C4)C(=O)O5)[H])[H])=CC(=O)[C@@]1([C@]6(C)[C@@](CC2)([C@](CO)(C)[C@@H](O)CC6)[H])[H]

Canonical SMILES

O=C1OC2CC1(C)CC3C4=CC(=O)C5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CCC23C

Other Names for this Substance

  • Olean-12-en-29-oic acid, 3,22,23-trihydroxy-11-oxo-, γ-lactone, (3β,4β,20β,22β)-
  • 4,2-(Epoxymethano)picene, olean-12-en-29-oic acid deriv.
  • 24-Hydroxyglabrolide

Deleted or Replaced CAS Registry Numbers

161961-06-4