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Substance Name: Androst-5-ene-3,16,17-triol-3-sulfate
RN: 2681-63-2
InChIKey: NEEPVBBBPFLSII-DPKZMNKYSA-N

Molecular Formula

  • C19-H30-O6-S

Molecular Weight

  • 386.506
 
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Names and Synonyms

Name of Substance

  • Androst-5-ene-3,16,17-triol-3-sulfate

Synonym

  • A-Triols

Systematic Name

  • Androst-5-ene-3,16,17-triol, 3-(hydrogen sulfate), (3beta,16alpha,17beta)-

Registry Numbers

CAS Registry Number

  • 2681-63-2

System Generated Number

  • 0002681632

Structure Descriptors

InChI

1S/C19H30O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-17,20-21H,4-10H2,1-2H3,(H,22,23,24)/t12?,13-,14+,15+,16?,17?,18+,19+/m1/s1

InChIKey

NEEPVBBBPFLSII-DPKZMNKYSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4C[C@@H]([C@@H]([C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O)OS(=O)(=O)O