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Substance Name: Cholanthrene-9,10-diol-7,8-epoxide
RN: 111238-25-6
InChIKey: BQXVUFNOKKHIKA-ZGXWSNOMSA-N

Molecular Formula

  • C20-H16-O3

Molecular Weight

  • 304.343
 
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Names and Synonyms

Name of Substance

  • Cholanthrene-9,10-diol-7,8-epoxide

Synonym

  • Cholanthrene-9,10-diol-7,8-epoxide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111238-25-6

Other Registry Number

  • 119181-09-8

System Generated Number

  • 0111238256

Structure Descriptors

InChI

1S/C20H16O3/c21-17-13-7-6-11-12-5-4-9-2-1-3-10(15(9)12)8-14(11)16(13)19-20(23-19)18(17)22/h1-3,6-8,17-22H,4-5H2/t17-,18+,19-,20+/m0/s1

InChIKey

BQXVUFNOKKHIKA-ZGXWSNOMSA-N

Smiles

c1ccc2CCc3c2c1cc1c2c(ccc31)[C@@H]([C@H]([C@@H]1[C@@H]2O1)O)O