Methyl 3,12-dioxoolean-9(11)-en-28-oate

CAS Registry Number®

218600-50-1
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CAS Name

Methyl 3,12-dioxoolean-9(11)-en-28-oate

Molecular Formula

C31H46O4

Molecular Mass

482.69

Cite this Page

Methyl 3,12-dioxoolean-9(11)-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=218600-50-1 (retrieved 2024-09-19) (CAS RN: 218600-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102-105 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H46O4/c1-26(2)13-15-31(25(34)35-8)16-14-30(7)24(19(31)18-26)20(32)17-22-28(5)11-10-23(33)27(3,4)21(28)9-12-29(22,30)6/h17,19,21,24H,9-16,18H2,1-8H3/t19-,21-,24-,28-,29+,30+,31-/m0/s1

InChIKey

InChIKey=ZSKIWSWEZHHVGY-ZTPLMWSVSA-N

SMILES

C(OC)(=O)[C@]12[C@]([C@@]3([C@@](C)(CC1)[C@@]4(C)C(=CC3=O)[C@]5(C)[C@@](CC4)(C(C)(C)C(=O)CC5)[H])[H])(CC(C)(C)CC2)[H]

Canonical SMILES

O=C1C=C2C3(C)CCC(=O)C(C)(C)C3CCC2(C)C4(C)CCC5(C(=O)OC)CCC(C)(C)CC5C14

Other Names for this Substance

  • Olean-9(11)-en-28-oic acid, 3,12-dioxo-, methyl ester
  • Methyl 3,12-dioxoolean-9(11)-en-28-oate