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Substance Name: 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene
RN: 79647-25-9
InChIKey: IVHWSXJFXWPPMY-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C21-H18-O3

Molecular Weight

  • 318.3702
 
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Names and Synonyms

Name of Substance

  • 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene

Synonym

  • 3-Mca-anti-9,10-diol-7,8-epoxide

Systematic Names

  • Indeno(7',1':6,7,8)phenanthro(3,4-b)oxirane-2,3-diol, 1a,2,3,6,7,11c-hexahydro-8-methyl-, (1aS-(1a-alpha,2-beta,3-alpha,11c-alpha))-
  • Indeno(7',1':6,7,8)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,6,7,11c-hexahydro-8-methyl-, (1aS-(1aalpha,2beta,3alpha,11calpha))-

Registry Numbers

CAS Registry Number

  • 79647-25-9

System Generated Number

  • 0079647259

Structure Descriptors

InChI

1S/C21H18O3/c1-9-2-3-10-8-15-12(13-6-4-11(9)16(10)13)5-7-14-17(15)20-21(24-20)19(23)18(14)22/h2-3,5,7-8,18-23H,4,6H2,1H3

InChIKey

IVHWSXJFXWPPMY-UHFFFAOYSA-N

Smiles

Cc1ccc2cc3c4C5OC5C(O)C(O)c4ccc3c6CCc1c26