(3R,4aR,4bR,8S,8aR,10aS)-7-Ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-3-hydroxy-1,1,4a,8-tetramethyl-2,5-phenanthrenedione

CAS Registry Number®

166547-21-3

CAS Name

(3R,4aR,4bR,8S,8aR,10aS)-7-Ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-3-hydroxy-1,1,4a,8-tetramethyl-2,5-phenanthrenedione

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

(3R,4aR,4bR,8S,8aR,10aS)-7-Ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-3-hydroxy-1,1,4a,8-tetramethyl-2,5-phenanthrenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=166547-21-3 (retrieved 2024-11-08) (CAS RN: 166547-21-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,20-/m1/s1

InChIKey

InChIKey=XVEOIKIXOSKAFL-BJASISCMSA-N

SMILES

C[C@]12[C@]3([C@](CC[C@@]1(C(C)(C)C(=O)[C@H](O)C2)[H])([C@H](C)C(C=C)=CC3=O)[H])[H]

Canonical SMILES

O=C1C=C(C=C)C(C)C2CCC3C(C(=O)C(O)CC3(C)C12)(C)C

Other Names for this Substance

  • 2,5-Phenanthrenedione, 7-ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-3-hydroxy-1,1,4a,8-tetramethyl-, (3R,4aR,4bR,8S,8aR,10aS)-
  • 2,5-Phenanthrenedione, 7-ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-3-hydroxy-1,1,4a,8-tetramethyl-, [3R-(3α,4aα,4bβ,8β,8aα,10aβ)]-
  • (3R,4aR,4bR,8S,8aR,10aS)-7-Ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-3-hydroxy-1,1,4a,8-tetramethyl-2,5-phenanthrenedione
  • Phytocassane A
  • (-)-Phytocassane A

CAS INSIGHTSTM
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