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Substance Name: 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene (1-alpha,9-alpha,10-beta)
RN: 65831-43-8
InChIKey: HCAPYAKTGHZBKU-UEXGIBASSA-N

Molecular Weight

  • 318.37
 
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Names and Synonyms

Synonym

  • CCRIS 1295

Systematic Names

  • 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene (1-alpha,9-alpha,10-beta)
  • Benz(j)aceanthrylene-1,9,10-triol, 1,2,9,10-tetrahydro-3-methyl-, (1alpha,9alpha,10beta)-

Registry Numbers

CAS Registry Number

  • 65831-43-8

System Generated Number

  • 0065831438

Structure Descriptors

InChI

1S/C21H18O3/c1-10-2-3-11-8-16-12-6-7-17(22)21(24)14(12)5-4-13(16)20-18(23)9-15(10)19(11)20/h2-8,17-18,21-24H,9H2,1H3/t17-,18+,21-/m0/s1

InChIKey

HCAPYAKTGHZBKU-UEXGIBASSA-N

Smiles

C1[C@H](c2c3ccc4[C@@H]([C@H](C=Cc4c3cc3ccc(c1c23)C)O)O)O