Quillaic acid

CAS Registry Number®

631-01-6
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CAS Name

Quillaic acid

Molecular Formula

C30H46O5

Molecular Mass

486.68

Cite this Page

Quillaic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=631-01-6 (retrieved 2024-07-05) (CAS RN: 631-01-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    294 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=MQUFAARYGOUYEV-UAWZMHPWSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C=O)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)CC2)[H]

Canonical SMILES

O=CC1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)O)C(O)CC43C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,16-dihydroxy-23-oxo-, (3β,4α,16α)-
  • Olean-12-en-28-oic acid, 3β,16α-dihydroxy-23-oxo-
  • (3β,4α,16α)-3,16-Dihydroxy-23-oxoolean-12-en-28-oic acid
  • Quillaic acid
  • Quillaja sapogenin