Methyl oleanolate

CAS Registry Number®

1724-17-0

CAS Name

Methyl oleanolate

Molecular Formula

C31H50O3

Molecular Mass

470.73

Cite this Page

Methyl oleanolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1724-17-0 (retrieved 2024-11-24) (CAS RN: 1724-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    203 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1

InChIKey

InChIKey=BTXWOKJOAGWCSN-JBYJGCOVSA-N

SMILES

C(OC)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[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(OC)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3β)-
  • Olean-12-en-28-oic acid, 3β-hydroxy-, methyl ester
  • Methyl oleanolate
  • Oleanolic acid methyl ester
  • Virgaureagenin B methyl ester

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Deleted or Replaced CAS Registry Numbers

21494-56-4, 2241216-90-8