Betulinic acid

CAS Registry Number®

472-15-1

CAS Name

Betulinic acid

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

Betulinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=472-15-1 (retrieved 2024-11-22) (CAS RN: 472-15-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    303 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O3/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/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=QGJZLNKBHJESQX-FZFNOLFKSA-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@@H](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-hydroxy-, (3β)-
  • Mairin
  • Lup-20(29)-en-28-oic acid, 3β-hydroxy-
  • 3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.
  • (3β)-3-Hydroxylup-20(29)-en-28-oic acid

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Deleted or Replaced CAS Registry Numbers

853271-91-7, 1192133-35-9, 1192133-65-5, 2088830-43-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration