Acacic acid

CAS Registry Number®

1962-14-7

CAS Name

Acacic acid

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

Acacic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1962-14-7 (retrieved 2024-12-23) (CAS RN: 1962-14-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    275-276 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,22-,23+,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=CFKXWTNHIJAFNL-OOURDANISA-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)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)[C@@H](O)C2)[H]

Canonical SMILES

O=C(O)C12CC(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,16,21-trihydroxy-, (3β,16α,21β)-
  • Acacic acid
  • (3β,16α,21β)-3,16,21-Trihydroxyolean-12-en-28-oic acid

CAS INSIGHTSTM
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