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Substance Name: 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside
RN: 131073-99-9
InChIKey: IHIRMPVEMZARQI-KVQHSJIPSA-N

Molecular Weight

  • 562.763
 
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Names and Synonyms

Name of Substance

  • 17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside

Synonyms

  • 17-TADG
  • 17beta-(3'-Thiophenyl)-5beta-androstane-3beta,14beta-diol 3-D-glucopyranoside

Registry Numbers

CAS Registry Number

  • 131073-99-9

System Generated Number

  • 0131073999

Structure Descriptors

InChI

1S/C31H46O7S/c1-29-11-8-19(37-28-27(35)26(34)25(33)24(16-32)38-28)15-18(29)6-7-23-22(29)9-12-30(2)21(10-13-31(23,30)36)17-4-3-5-20(39)14-17/h3-4,14,18-19,21-28,32-36H,5-13,15-16H2,1-2H3/t18-,19+,21-,22+,23-,24-,25-,26+,27-,28?,29+,30-,31+/m1/s1

InChIKey

IHIRMPVEMZARQI-KVQHSJIPSA-N

Smiles

C1[C@@H](C[C@H]2CC[C@H]3[C@@]4(CC[C@@H]([C@@]4(C)CC[C@H]3[C@@]2(C1)C)C1=CC(CC=C1)=S)O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO