(1R,4aS,7S,10aR)-7-Ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-9-oxo-1-phenanthrenecarboxylic acid

CAS Registry Number®

114191-62-7

CAS Name

(1R,4aS,7S,10aR)-7-Ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-9-oxo-1-phenanthrenecarboxylic acid

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

(1R,4aS,7S,10aR)-7-Ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-9-oxo-1-phenanthrenecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114191-62-7 (retrieved 2025-01-20) (CAS RN: 114191-62-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,16H,1,6-12H2,2-4H3,(H,22,23)/t16-,18+,19-,20-/m1/s1

InChIKey

InChIKey=MKABKMLRRKPPCP-GSEOLPGOSA-N

SMILES

C[C@@]12[C@]([C@@](C(O)=O)(C)CCC1)(CC(=O)C3=C2CC[C@@](C=C)(C)C3)[H]

Canonical SMILES

O=C(O)C1(C)CCCC2(C3=C(C(=O)CC12)CC(C=C)(C)CC3)C

Other Names for this Substance

  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-9-oxo-, (1R,4aS,7S,10aR)-
  • 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-9-oxo-, [1R-(1α,4aβ,7α,10aα)]-
  • (1R,4aS,7S,10aR)-7-Ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-9-oxo-1-phenanthrenecarboxylic acid