Medicagenic acid

CAS Registry Number®

599-07-5
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CAS Name

Medicagenic acid

Molecular Formula

C30H46O6

Molecular Mass

502.68

Cite this Page

Medicagenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=599-07-5 (retrieved 2024-05-19) (CAS RN: 599-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    380-382 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1

InChIKey

InChIKey=IDGXIXSKISLYAC-WNTKNEGGSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@@](C(O)=O)(C)[C@@H](O)[C@@H](O)C3)[H])(CC=C4[C@@]2(C)CC[C@]5(C(O)=O)[C@]4(CC(C)(C)CC5)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C(=O)O)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 2,3-dihydroxy-, (2β,3β,4α)-
  • Olean-12-ene-23,28-dioic acid, 2β,3β-dihydroxy-
  • Medicagenic acid
  • (2β,3β,4α)-2,3-Dihydroxyolean-12-ene-23,28-dioic acid
  • Castanogenin

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Deleted or Replaced CAS Registry Numbers

16812-61-6, 53648-25-2

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