(4aS,4bS,5S,7S,10aR)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-9(1H)-phenanthrenone

CAS Registry Number®

62574-18-9

CAS Name

(4aS,4bS,5S,7S,10aR)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-9(1H)-phenanthrenone

Molecular Formula

C20H30O3

Molecular Mass

318.45

Cite this Page

(4aS,4bS,5S,7S,10aR)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-9(1H)-phenanthrenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62574-18-9 (retrieved 2024-11-08) (CAS RN: 62574-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1

InChIKey

InChIKey=BWRPYSJNBVBIRP-FLFBIERCSA-N

SMILES

C[C@]12[C@]3([C@@](O)(C(C)(C)CCC3)CC(=O)C1=C[C@@](C=C)(C)C[C@@H]2O)[H]

Canonical SMILES

O=C1C2=CC(C=C)(C)CC(O)C2(C)C3CCCC(C)(C)C3(O)C1

Other Names for this Substance

  • 9(1H)-Phenanthrenone, 7-ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-, (4aS,4bS,5S,7S,10aR)-
  • 9(1H)-Phenanthrenone, 7-ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-, [4aS-(4aα,4bβ,5β,7β,10aβ)]-
  • (4aS,4bS,5S,7S,10aR)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-5,10a-dihydroxy-1,1,4b,7-tetramethyl-9(1H)-phenanthrenone
  • Ineketone

CAS INSIGHTSTM
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