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

CAS Registry Number®

166547-22-4

CAS Name

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

Molecular Formula

C20H30O4

Molecular Mass

334.45

Cite this Page

(1S,4aS,4bS,5S,6R,7R,8aS,10aS)-2-Ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,6,7-trihydroxy-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=166547-22-4 (retrieved 2025-01-09) (CAS RN: 166547-22-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H30O4/c1-6-11-9-13(21)15-12(10(11)2)7-8-14-19(3,4)17(23)16(22)18(24)20(14,15)5/h6,9-10,12,14-18,22-24H,1,7-8H2,2-5H3/t10-,12+,14+,15-,16-,17+,18-,20+/m1/s1

InChIKey

InChIKey=XFRCVLKGZMPUFQ-NSXJEZAVSA-N

SMILES

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

Canonical SMILES

O=C1C=C(C=C)C(C)C2CCC3C(C)(C)C(O)C(O)C(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-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-, (1S,4aS,4bS,5S,6R,7R,8aS,10aS)-
  • 4(1H)-Phenanthrenone, 2-ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-, [1S-(1α,4aβ,4bα,5α,6α,7α,8aβ,10aα)]-
  • (1S,4aS,4bS,5S,6R,7R,8aS,10aS)-2-Ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-4(1H)-phenanthrenone
  • Phytocassane B

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