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Substance Name: Calpaurine
RN: 103847-10-5
InChIKey: JCBFTVVDJBFDDD-UHFFFAOYSA-N

Molecular Weight

  • 389.449
 
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Names and Synonyms

Results Name

  • Calpaurine

Synonym

  • Calpaurine

Systematic Name

  • 1H-Pyrrole-2-carboxylic acid, (2S,7S,7aR,9R,10S,14S,14aS)-dodecahydro-9,10-dihydroxy-11-oxo-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-2-yl ester

Registry Numbers

CAS Registry Number

  • 103847-10-5

System Generated Number

  • 0103847105

Structure Descriptors

InChI

1S/C20H27N3O5/c24-17-8-16-11-6-12(10-23(16)19(26)18(17)25)15-7-13(3-5-22(15)9-11)28-20(27)14-2-1-4-21-14/h1-2,4,11-13,15-18,21,24-25H,3,5-10H2

InChIKey

JCBFTVVDJBFDDD-UHFFFAOYSA-N

Smiles

C1[C@@H](OC(c2[nH]ccc2)=O)CC[N@@]2C[C@@H]3C[C@@H]([C@@H]12)CN1[C@@H]3C[C@@H]([C@@H](C1=O)O)O