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Substance Name: Holarrhenine acetate
RN: 106422-91-7
UNII: 403KVU8COO
InChIKey: CWTSHGMPMNOYPP-QHDJFITCSA-N

Molecular Formula

  • C26-H42-N2-O2

Molecular Weight

  • 414.6298
 
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Names and Synonyms

Name of Substance

  • Holarrhenine acetate

Synonyms

  • Holarrhenine acetate
  • O-Acetyl-(3beta,12beta)-3-(dimethylamino)CON-5-enin-12-ol
  • O-Acetylholarrhenine
  • O-Acetylholarrhenine [MI]
  • UNII-403KVU8COO

Registry Numbers

CAS Registry Number

  • 106422-91-7

FDA UNII

  • 403KVU8COO

System Generated Number

  • 0106422917

Structure Descriptors

InChI

1S/C26H42N2O2/c1-16-21-9-10-22-20-8-7-18-13-19(27(4)5)11-12-25(18,3)23(20)14-24(30-17(2)29)26(21,22)15-28(16)6/h7,16,19-24H,8-15H2,1-6H3/t16-,19-,20-,21+,22-,23-,24+,25-,26+/m0/s1

InChIKey

CWTSHGMPMNOYPP-QHDJFITCSA-N

Smiles

C[C@H]1[C@H]2CC[C@@H]3[C@]2(CN1C)[C@@H](C[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)OC(=O)C