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Substance Name: 1,3,5,6-Tetrahydroxyandrostan-17-one
RN: 90134-60-4
InChIKey: ONHQGXIEYFYVDF-MESRZZFMSA-N

Note

  • From soft coral Sarcophyton glaucum.

Molecular Weight

  • 338.441
 
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Names and Synonyms

Name of Substance

  • 1,3,5,6-Tetrahydroxyandrostan-17-one

Synonyms

  • 1,3,5,6-THAO
  • 1beta,3beta,5,6beta-Tetrahydroxy-5alpha-androstan-17-one

Systematic Name

  • Androstan-17-one, 1,3,5,6-tetrahydroxy-, (1beta,3beta,5alpha,6beta)-

Registry Numbers

CAS Registry Number

  • 90134-60-4

System Generated Number

  • 0090134604

Structure Descriptors

InChI

1S/C19H30O5/c1-17-6-5-13-11(12(17)3-4-14(17)21)8-16(23)19(24)9-10(20)7-15(22)18(13,19)2/h10-13,15-16,20,22-24H,3-9H2,1-2H3/t10-,11-,12-,13-,15+,16+,17-,18-,19-/m0/s1

InChIKey

ONHQGXIEYFYVDF-MESRZZFMSA-N

Smiles

C1[C@@H](C[C@@]2([C@@H](C[C@H]3[C@@H]4CCC([C@@]4(C)CC[C@H]3[C@@]2([C@@H]1O)C)=O)O)O)O