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Substance Name: Jervine, N-butyl-12-beta,13-alpha-dihydro-, 3-acetate
RN: 66409-97-0
InChIKey: KYSNSCUKVXTGBM-VNTGBJQKSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C33-H49-N-O4

Molecular Weight

  • 525.7689
 
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Names and Synonyms

Synonyms

  • N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate
  • n-Butyl-3-O-acetyl-12-beta,12-alpha-dihydrojervine
  • N-Butyl-3-O-acetyl-12-beta,13-alpha-dihydrojervine
  • N-Butyl-3-O-acetyl-12beta,13alpha-dihydrojervine

Systematic Name

  • Jervine, N-butyl-12-beta,13-alpha-dihydro-, 3-acetate

Registry Numbers

CAS Registry Number

  • 66409-97-0

System Generated Number

  • 0066409970

Structure Descriptors

InChI

1S/C33H51NO4/c1-7-8-15-34-18-19(2)16-27-30(34)21(4)33(38-27)14-12-25-26-10-9-23-17-24(37-22(5)35)11-13-32(23,6)29(26)31(36)28(25)20(33)3/h9,19-21,24-30H,7-8,10-18H2,1-6H3/t19-,20+,21+,24-,25-,26-,27+,28+,29+,30-,32-,33?/m0/s1

InChIKey

KYSNSCUKVXTGBM-VNTGBJQKSA-N

Smiles

CCCCN1C[C@H](C[C@@H]2[C@@H]1[C@H](C3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)[C@@H]4[C@H]3C)C)OC(=O)C)C)C