Methyl abietate

CAS Registry Number®

127-25-3
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CAS Name

Methyl abietate

Molecular Formula

C21H32O2

Molecular Mass

316.48

Cite this Page

Methyl abietate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=127-25-3 (retrieved 2024-05-03) (CAS RN: 127-25-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    362.5 °C

  • Melting Point (1)

    <25 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1

InChIKey

InChIKey=OVXRPXGVKBHGQO-UYWIDEMCSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-
  • Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1α,4aβ,4bα,10aα)]-
  • Abietic acid methyl ester
  • Methyl abietate

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