Gypsogenic acid

CAS Registry Number®

5143-05-5
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CAS Name

Gypsogenic acid

Molecular Formula

C30H46O5

Molecular Mass

486.68

Cite this Page

Gypsogenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5143-05-5 (retrieved 2024-08-17) (CAS RN: 5143-05-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >380 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1

InChIKey

InChIKey=PAIBKVQNJKUVCE-JUENUIDLSA-N

SMILES

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

Canonical SMILES

O=C(O)C1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC43C

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-hydroxy-, (3β,4α)-
  • Olean-12-ene-23,28-dioic acid, 3β-hydroxy-
  • (3β,4α)-3-Hydroxyolean-12-ene-23,28-dioic acid
  • Gypsogeninic acid
  • Astrantiagenin J

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Deleted or Replaced CAS Registry Numbers

6538-50-7