Queretaroic acid

CAS Registry Number®

511-82-0
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CAS Name

Queretaroic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

Queretaroic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=511-82-0 (retrieved 2024-09-19) (CAS RN: 511-82-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,26-,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=CZWBKSDPBWNHGO-AHJCBHEUSA-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](O)CC5)[H])[H])(C[C@](CO)(C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC(C)(CO)CC1)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,29-dihydroxy-, (3β,20β)-
  • Olean-12-en-28-oic acid, 3β,30-dihydroxy-
  • Olean-12-en-28-oic acid, 3β,29-dihydroxy-
  • (3β,20β)-3,29-Dihydroxyolean-12-en-28-oic acid
  • Queretaroic acid