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

CAS Registry Number®

166547-24-6

CAS Name

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

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

(2S,4aR,4bR,8S,8aR,10aS)-7-Ethenyl-1,4a,4b,8,8a,9,10,10a-octahydro-2-hydroxy-1,1,4a,8-tetramethyl-3,5(2H,4H)-phenanthrenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=166547-24-6 (retrieved 2024-12-23) (CAS RN: 166547-24-6).  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/h6,9,11,13,16-18,23H,1,7-8,10H2,2-5H3/t11-,13-,16-,17+,18-,20-/m1/s1

InChIKey

InChIKey=DGUIKAVSMBLZCL-MKSLXUROSA-N

SMILES

C[C@]12[C@]3([C@](CC[C@@]1(C(C)(C)[C@H](O)C(=O)C2)[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)C(=O)CC3(C)C12

Other Names for this Substance

  • 3,5(2H,4H)-Phenanthrenedione, 7-ethenyl-1,4a,4b,8,8a,9,10,10a-octahydro-2-hydroxy-1,1,4a,8-tetramethyl-, (2S,4aR,4bR,8S,8aR,10aS)-
  • (2S,4aR,4bR,8S,8aR,10aS)-7-Ethenyl-1,4a,4b,8,8a,9,10,10a-octahydro-2-hydroxy-1,1,4a,8-tetramethyl-3,5(2H,4H)-phenanthrenedione
  • Phytocassane D
  • (-)-Phytocassane D

CAS INSIGHTSTM
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