Acanthoic acid

CAS Registry Number®

119290-87-8

CAS Name

Acanthoic acid

Molecular Formula

C20H30O2

Molecular Mass

302.45

Cite this Page

Acanthoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119290-87-8 (retrieved 2024-11-04) (CAS RN: 119290-87-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14-,16-,18-,19-,20+/m0/s1

InChIKey

InChIKey=TVHDZSRRHQKNEZ-MGFONVBGSA-N

SMILES

C[C@]12[C@@]([C@@](C(O)=O)(C)CCC1)(CC[C@@]3(C2=CC[C@@](C=C)(C)C3)[H])[H]

Canonical SMILES

O=C(O)C1(C)CCCC2(C3=CCC(C=C)(C)CC3CCC12)C

Other Names for this Substance

  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R,4aR,7S,8aS,10aS)-
  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1α,4aα,7α,8aβ,10aβ)]-
  • (1R,4aR,7S,8aS,10aS)-7-Ethenyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-1,4a,7-trimethyl-1-phenanthrenecarboxylic acid
  • Acanthoic acid
  • (-)-Acanthoic acid

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