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Substance Name: Methyl jervine-N-propionate
RN: 132943-48-7
UNII: 28779ZEX29
InChIKey: MXDPCHQGAQFRMD-YSKIUEDOSA-N

Molecular Formula

  • C31-H45-N-O5

Molecular Weight

  • 511.6985
 
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Names and Synonyms

Name of Substance

  • Methyl jervine-N-propionate

Synonyms

  • Methyl jervine-N-propionate
  • UNII-28779ZEX29
  • Veratraman-28-propanoic acid, 17,23-epoxy-3-hydroxy-11-oxo-, methyl ester, (3beta,23beta)-

Registry Numbers

CAS Registry Number

  • 132943-48-7

FDA UNII

  • 28779ZEX29

System Generated Number

  • 0132943487

Structure Descriptors

InChI

1S/C31H45NO5/c1-17-14-24-28(32(16-17)13-10-25(34)36-5)19(3)31(37-24)12-9-22-23-7-6-20-15-21(33)8-11-30(20,4)27(23)29(35)26(22)18(31)2/h6,17,19,21-24,27-28,33H,7-16H2,1-5H3/t17-,19+,21-,22-,23-,24+,27+,28-,30-,31-/m0/s1

InChIKey

MXDPCHQGAQFRMD-YSKIUEDOSA-N

Smiles

COC(=O)CCN1C[C@@H](C)C[C@H]2O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C(=O)C4=C3C)[C@H](C)[C@H]12