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Substance Name: Gentrogenin acetate
RN: 5996-01-0
UNII: B94OAH0QXQ
InChIKey: MSNYSLBOIHUYMS-URBKRRPPSA-N

Molecular Formula

  • C29-H42-O5

Molecular Weight

  • 470.6458
 
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Names and Synonyms

Name of Substance

  • Gentrogenin acetate

Synonyms

  • Botogenin, acetate
  • Gentrogenin acetate
  • Gentrogenin acetate [MI]
  • Spirost-5-en-12-one, 3-(acetyloxy)-, (3beta,25R)-
  • UNII-B94OAH0QXQ

Registry Numbers

CAS Registry Number

  • 5996-01-0

FDA UNII

  • B94OAH0QXQ

System Generated Number

  • 0005996010

Structure Descriptors

InChI

1S/C29H42O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h6,16-17,20-24,26H,7-15H2,1-5H3/t16-,17+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1

InChIKey

MSNYSLBOIHUYMS-URBKRRPPSA-N

Smiles

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1