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Substance Name: Haplophytine
RN: 16625-20-0
UNII: GMG37D1CWE
InChIKey: SFSFAWRKKRGBKI-ZLEWMSNTSA-N

Note

  • From Haplophyton cimicidum.

Molecular Formula

  • C37-H40-N4-O7

Molecular Weight

  • 652.744
 
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Names and Synonyms

Name of Substance

  • Haplophytine

Synonyms

  • (+)-Haplophytine
  • Aspidospermidin-21-oic acid, 3,4-didehydro-19-hydroxy-16,17-dimethoxy-1-methyl-15-((3aS,7R)-2,3,5,6-tetrahydro-11-hydroxy-4-methyl-1,13-dioxo-1H-3a,7-methanopyrrolo(1,2-a)(1,3)benzodiazocin-7(4H)-yl)-, gamma-lactone
  • Haplophytine
  • Haplophytine [MI]
  • UNII-GMG37D1CWE

Registry Numbers

CAS Registry Number

  • 16625-20-0

FDA UNII

  • GMG37D1CWE

System Generated Number

  • 0016625200

Structure Descriptors

InChI

1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33-,34-,35-,36+,37+/m1/s1

InChIKey

SFSFAWRKKRGBKI-ZLEWMSNTSA-N

Smiles

CN1CC[C@@]2(c3cccc(c3N4[C@]1(C2=O)CCC4=O)O)c5cc6c(c(c5OC)OC)N([C@H]7[C@@]68CCN9[C@]81[C@@](CCC9)(CC(=O)O1)C=C7)C