rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol

CAS Registry Number®

63038-83-5

CAS Name

rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol

Molecular Formula

C18H14O3

Molecular Mass

278.30

Cite this Page

rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-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=63038-83-5 (retrieved 2024-11-28) (CAS RN: 63038-83-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-215 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1/C18H14O3/c19-15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17-,18+/s2

InChIKey

InChIKey=QMVDCUCAPJTHNE-DUHDNEDWNA-N

SMILES

O[C@@H]1[C@]2([C@@](C=3C(=CC=4C(C3)=C5C(=CC4)C=CC=C5)[C@H]1O)(O2)[H])[H]

Canonical SMILES

OC1C2=CC=3C=CC=4C=CC=CC4C3C=C2C5OC5C1O

Other Names for this Substance

  • Benz[7,8]anthra[1,2-b]oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1aR,2R,3S,11bS)-rel-
  • Benz[7,8]anthra[1,2-b]oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1aα,2β,3α,11bα)-
  • rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol
  • 8α,9β-Dihydroxy-10β,11β-epoxy-8,9,10,11-tetrahydrobenz[a]anthracene
  • anti-(±)-Benz[a]anthracene-trans-8,9-dihydrodiol-10,11-epoxide

Deleted or Replaced CAS Registry Numbers

64598-83-0

CAS INSIGHTSTM
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