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Substance Name: 5-alpha-Stigmastane-3-beta,5,6-beta-triol, 3-benzoate
RN: 59297-18-6
InChIKey: ICXVTVDXKXOCCK-VMTMXRMOSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C36-H56-O4

Molecular Weight

  • 552.834
 
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Names and Synonyms

Synonyms

  • 5-alpha-Stigmastane-3-beta,5,6-beta-triol 3-monobenzoate
  • 5alpha-Stigmastane-3beta,5,6beta-triol 3-monobenzoate
  • BRN 2196411

Systematic Name

  • 5-alpha-Stigmastane-3-beta,5,6-beta-triol, 3-benzoate

Registry Numbers

CAS Registry Number

  • 59297-18-6

System Generated Number

  • 0059297186

Structure Descriptors

InChI

1S/C36H56O4/c1-7-25(23(2)3)14-13-24(4)29-15-16-30-28-21-32(37)36(39)22-27(40-33(38)26-11-9-8-10-12-26)17-20-35(36,6)31(28)18-19-34(29,30)5/h8-12,23-25,27-32,37,39H,7,13-22H2,1-6H3/t24-,25-,27+,28+,29-,30+,31+,32-,34-,35-,36+/m1/s1

InChIKey

ICXVTVDXKXOCCK-VMTMXRMOSA-N

Smiles

C1[C@@H](C[C@@]2([C@@H](C[C@H]3[C@@H]4CC[C@@H]([C@@H](CC[C@@H](CC)C(C)C)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O)OC(c1ccccc1)=O