Methyl (1R,4aR,4bS,7R,8aS,10aR)-tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate

CAS Registry Number®

19941-28-7

CAS Name

Methyl (1R,4aR,4bS,7R,8aS,10aR)-tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate

Molecular Formula

C21H36O2

Molecular Mass

320.51

Cite this Page

Methyl (1R,4aR,4bS,7R,8aS,10aR)-tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19941-28-7 (retrieved 2025-01-07) (CAS RN: 19941-28-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    185-190 °C @ Press: 5-7 Torr

  • Density (1)

    1.0506 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H36O2/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/h14-18H,6-13H2,1-5H3/t15-,16+,17+,18-,20-,21-/m1/s1

InChIKey

InChIKey=FJHHBOWEISXQJX-ORAJIYJMSA-N

SMILES

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

Canonical SMILES

O=C(OC)C1(C)CCCC2(C)C3CCC(CC3CCC12)C(C)C

Other Names for this Substance

  • 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bS,7R,8aS,10aR)-
  • 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1α,4aβ,4bα,7β,8aβ,10aα)]-
  • Podocarpan-15-oic acid, 13β-isopropyl-, methyl ester
  • Methyl (1R,4aR,4bS,7R,8aS,10aR)-tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate
  • Methyl tetrahydroabietate

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