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

CAS Registry Number®

181524-78-7

CAS Name

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

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

(4R,4aS,4bS,8R,8aS,10aR)-7-Ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-4-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=181524-78-7 (retrieved 2025-01-07) (CAS RN: 181524-78-7).  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)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15,17-18,23H,1,7-8,10H2,2-5H3/t11-,13-,15-,17+,18+,20+/m0/s1

InChIKey

InChIKey=MMRGGLJWHXYKLZ-ALKYXNQTSA-N

SMILES

C[C@@]12[C@@]3([C@@](CC[C@]1(C(C)(C)C(=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(=O)CC(O)C3(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-4-hydroxy-1,1,4a,8-tetramethyl-, (4R,4aS,4bS,8R,8aS,10aR)-
  • 2,5-Phenanthrenedione, 7-ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-4-hydroxy-1,1,4a,8-tetramethyl-, [4R-(4α,4aα,4bβ,8β,8aα,10aβ)]-
  • (4R,4aS,4bS,8R,8aS,10aR)-7-Ethenyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydro-4-hydroxy-1,1,4a,8-tetramethyl-2,5-phenanthrenedione
  • Phytocassane EL
  • Phytocassane E

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