Neoabietic acid

CAS Registry Number®

471-77-2
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CAS Name

Neoabietic acid

Molecular Formula

C20H30O2

Molecular Mass

302.45

Cite this Page

Neoabietic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=471-77-2 (retrieved 2024-04-29) (CAS RN: 471-77-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-167 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

InChIKey

InChIKey=KGMSWPSAVZAMKR-ONCXSQPRSA-N

SMILES

C[C@@]12[C@]([C@@](C(O)=O)(C)CCC1)(CCC=3[C@@]2(CCC(=C(C)C)C3)[H])[H]

Canonical SMILES

O=C(O)C1(C)CCCC2(C)C3C(=CC(=C(C)C)CC3)CCC12

Other Names for this Substance

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, (1R,4aR,4bS,10aR)-
  • Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1α,4aβ,4bα,10aα)]-
  • (1R,4aR,4bS,10aR)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-1-phenanthrenecarboxylic acid
  • Neoabietic acid

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