7-Oxodehydroabietic acid

CAS Registry Number®

18684-55-4

CAS Name

7-Oxodehydroabietic acid

Molecular Formula

C20H26O3

Molecular Mass

314.42

Cite this Page

7-Oxodehydroabietic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18684-55-4 (retrieved 2024-11-25) (CAS RN: 18684-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    90-91 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1

InChIKey

InChIKey=MSWJSDLNPCSSNW-MISYRCLQSA-N

SMILES

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

Canonical SMILES

O=C(O)C1(C)CCCC2(C3=CC=C(C=C3C(=O)CC12)C(C)C)C

Other Names for this Substance

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-, (1R,4aS,10aR)-
  • Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-7-oxo-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-, [1R-(1α,4aβ,10aα)]-
  • (1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-1-phenanthrenecarboxylic acid
  • 7-Ketodehydroabietic acid

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CAS INSIGHTSTM
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