3-O-Acetylbetulinic acid

CAS Registry Number®

10376-50-8
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CAS Name

3-O-Acetylbetulinic acid

Molecular Formula

C32H50O4

Molecular Mass

498.74

Cite this Page

3-O-Acetylbetulinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10376-50-8 (retrieved 2024-05-18) (CAS RN: 10376-50-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    290-292 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1

InChIKey

InChIKey=ACWNTJJUZAIOLW-BWXYOZBYSA-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](OC(C)=O)CC5)[H])[H])[H])([C@H](C(C)=C)CC2)[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C(=O)O)CCC43C)C1(C)C)C

Other Names for this Substance

  • Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-, (3β)-
  • Lup-20(29)-en-28-oic acid, 3β-hydroxy-, acetate
  • Lup-20(30)-en-28-oic acid, 3β-hydroxy-, acetate
  • 3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.
  • (3β)-3-(Acetyloxy)lup-20(29)-en-28-oic acid

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Deleted or Replaced CAS Registry Numbers

1192133-68-8

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