(+)-Betulonic acid

CAS Registry Number®

4481-62-3
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CAS Name

(+)-Betulonic acid

Molecular Formula

C30H46O3

Molecular Mass

454.68

Cite this Page

(+)-Betulonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4481-62-3 (retrieved 2024-04-29) (CAS RN: 4481-62-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    253 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=SLJTWDNVZKIDAU-SVAFSPIFSA-N

SMILES

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

Canonical SMILES

O=C(O)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Lup-20(29)-en-28-oic acid, 3-oxo-
  • Lup-20(30)-en-28-oic acid, 3-oxo-
  • 3-Oxolup-20(29)-en-28-oic acid
  • Betulonic acid
  • Liquidambronic acid

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Deleted or Replaced CAS Registry Numbers

853271-92-8, 1417540-45-4, 2098643-19-5

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