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Substance Name: 22-Phenoxazonoxy-5-cholene-3beta-ol
RN: 135212-24-7
InChIKey: CVZICIUHKUXMCS-BSZLDPMNSA-N

Molecular Weight

  • 557.77
 
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Names and Synonyms

Name of Substance

  • 22-Phenoxazonoxy-5-cholene-3beta-ol

Synonyms

  • 22-((3-Oxophenoxazin-7-yl)oxy)-5-cholen-3beta-ol
  • Opochol

Registry Numbers

CAS Registry Number

  • 135212-24-7

System Generated Number

  • 0135212247

Structure Descriptors

InChI

1S/C36H47NO4/c1-5-30(41-34-29(39)14-15-32-33(34)37-28-8-6-7-9-31(28)40-32)21(2)25-12-13-26-24-11-10-22-20-23(38)16-18-35(22,3)27(24)17-19-36(25,26)4/h6-10,15,21,23-27,30,37-38H,5,11-14,16-20H2,1-4H3/t21-,23-,24-,25+,26-,27-,30?,35-,36+/m0/s1

InChIKey

CVZICIUHKUXMCS-BSZLDPMNSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@H]([C@@H](CC)OC=5C(CC=C6Oc7ccccc7NC56)=O)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O