Olean-12-ene-3,11-dione

CAS Registry Number®

2935-32-2
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CAS Name

Olean-12-ene-3,11-dione

Molecular Formula

C30H46O2

Molecular Mass

438.68

Cite this Page

Olean-12-ene-3,11-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2935-32-2 (retrieved 2024-09-06) (CAS RN: 2935-32-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22,24H,9-16,18H2,1-8H3/t20-,22-,24+,27+,28-,29+,30+/m0/s1

InChIKey

InChIKey=XQIVDOSRZQSWFL-QKMNFNRLSA-N

SMILES

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

Canonical SMILES

O=C1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C4(C)CCC5C(C(=O)CCC5(C)C14)(C)C

Other Names for this Substance

  • Olean-12-ene-3,11-dione
  • 3,11-Dioxoolean-12-ene
  • 3,11-Dioxo-β-amyrene
  • 12-Oleanen-3,11-dione