(1S,4aS,4bS,5R,7S,8aS,10aS)-2-Ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,7-dihydroxy-1,4b,8,8-tetramethyl-4(1H)-phenanthrenone

CAS Registry Number®

166547-23-5

CAS Name

(1S,4aS,4bS,5R,7S,8aS,10aS)-2-Ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,7-dihydroxy-1,4b,8,8-tetramethyl-4(1H)-phenanthrenone

Molecular Formula

C20H30O3

Molecular Mass

318.45

Cite this Page

(1S,4aS,4bS,5R,7S,8aS,10aS)-2-Ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,7-dihydroxy-1,4b,8,8-tetramethyl-4(1H)-phenanthrenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=166547-23-5 (retrieved 2025-01-31) (CAS RN: 166547-23-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H30O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13+,15+,16+,17-,18-,20-/m1/s1

InChIKey

InChIKey=YQESGDRIAQDEQE-LNURRRDISA-N

SMILES

C[C@@]12[C@@]3([C@@](CC[C@]1(C(C)(C)[C@@H](O)C[C@H]2O)[H])([C@H](C)C(C=C)=CC3=O)[H])[H]

Canonical SMILES

O=C1C=C(C=C)C(C)C2CCC3C(C)(C)C(O)CC(O)C3(C)C12

Other Names for this Substance

  • 4(1H)-Phenanthrenone, 2-ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,7-dihydroxy-1,4b,8,8-tetramethyl-, (1S,4aS,4bS,5R,7S,8aS,10aS)-
  • 4(1H)-Phenanthrenone, 2-ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,7-dihydroxy-1,4b,8,8-tetramethyl-, [1S-(1α,4aβ,4bα,5α,7α,8aβ,10aα)]-
  • (1S,4aS,4bS,5R,7S,8aS,10aS)-2-Ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,7-dihydroxy-1,4b,8,8-tetramethyl-4(1H)-phenanthrenone
  • Phytocassane C