rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol

CAS Registry Number®

86941-58-4

CAS Name

rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol

Molecular Formula

C20H18O3

Molecular Mass

306.36

Cite this Page

rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86941-58-4 (retrieved 2024-11-05) (CAS RN: 86941-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/s2

InChIKey

InChIKey=SZIWZGXOWBSPTO-LMWGHQENNA-N

SMILES

CC1=C2C=3[C@]4([C@](O4)([C@H](O)[C@@H](O)C3C=CC2=C(C)C=5C1=CC=CC5)[H])[H]

Canonical SMILES

OC1C=2C=CC3=C(C(=C4C=CC=CC4=C3C)C)C2C5OC5C1O

Other Names for this Substance

  • Benzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11c-tetrahydro-6,11-dimethyl-, (1aR,2R,3S,11cS)-rel-
  • Benzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11c-tetrahydro-6,11-dimethyl-, (1aα,2β,3α,11cα)-
  • rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
  • (±)-anti-7,12-Dimethylbenz[a]anthracene-3,4-dihydrodiol-1,2-epoxide

Deleted or Replaced CAS Registry Numbers

130856-45-0

CAS INSIGHTSTM
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