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Substance Name: Diacetyljervine
RN: 7622-06-2
UNII: O8IM28G02S
InChIKey: AETQSOZEKYWGIJ-ATYUTGPHSA-N

Molecular Formula

  • C31-H43-N-O5

Molecular Weight

  • 509.6827
 
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Names and Synonyms

Name of Substance

  • Diacetyljervine

Synonyms

  • Diacetyljervine
  • Diacetyljervine [MI]
  • Jervine, N-acetyl-, acetate
  • N,O-Diacetyljervine
  • NSC-406352
  • UNII-O8IM28G02S
  • Veratraman-11-one, 28-acetyl-3-(acetyloxy)-17,23-epoxy-, (3beta,23beta)-

Registry Numbers

CAS Registry Number

  • 7622-06-2

FDA UNII

  • O8IM28G02S

System Generated Number

  • 0007622062

Structure Descriptors

InChI

1S/C31H43NO5/c1-16-13-25-28(32(15-16)19(4)33)18(3)31(37-25)12-10-23-24-8-7-21-14-22(36-20(5)34)9-11-30(21,6)27(24)29(35)26(23)17(31)2/h7,16,18,22-25,27-28H,8-15H2,1-6H3/t16-,18+,22-,23-,24-,25+,27+,28-,30-,31-/m0/s1

InChIKey

AETQSOZEKYWGIJ-ATYUTGPHSA-N

Smiles

C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)OC(=O)C)C)N(C1)C(=O)C