Bryonolic acid

CAS Registry Number®

24480-45-3
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CAS Name

Bryonolic acid

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

Bryonolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=24480-45-3 (retrieved 2024-04-18) (CAS RN: 24480-45-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    303.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=BHVJSLPLFOAMEV-UHIFYLTQSA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@@](C(O)=O)(C)C3)[H])CCC4=C2CC[C@@]5([C@]4(C)CC[C@H](O)C5(C)C)[H]

Canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C4=C(CCC3(C)C2C1)C5(C)CCC(O)C(C)(C)C5CC4)C

Other Names for this Substance

  • 26-Norolean-8-en-29-oic acid, 3-hydroxy-13-methyl-, (3β,13α,14β,20β)-
  • Bryonolic acid
  • D:C-Friedoolean-8-en-29-oic acid, 3β-hydroxy-
  • D:C-Friedoolean-8-en-29-oic acid, 3-hydroxy-, (3β,20β)-
  • (3β,13α,14β,20β)-3-Hydroxy-13-methyl-26-norolean-8-en-29-oic acid

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Deleted or Replaced CAS Registry Numbers

5957-43-7

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