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Substance Name: C-Calebassine, 18-hydroxy-
RN: 69356-54-3
InChIKey: RKYPLHDPBFEFNA-ASIDMNOUSA-N

Molecular Formula

  • C40-H48-N4-O3

Molecular Weight

  • 648.8432
 
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Names and Synonyms

Synonym

  • C-Alkaloid F

Systematic Name

  • C-Calebassine, 18-hydroxy-

Registry Numbers

CAS Registry Number

  • 69356-54-3

System Generated Number

  • 0069356543

Structure Descriptors

InChI

1S/C40H48N4O4/c1-43-15-13-37-27-7-3-5-9-29(27)41-36-34-26-20-32-38(14-16-44(32,2)22-24(26)12-18-46)28-8-4-6-10-30(28)42(40(34,38)48)35(36)33(39(37,41)47)25(19-31(37)43)23(21-43)11-17-45/h3-12,25-26,31-36,45-48H,13-22H2,1-2H3/q+2/b23-11+,24-12+

InChIKey

RKYPLHDPBFEFNA-ASIDMNOUSA-N

Smiles

C[N+]12C3C4(C5(N(C6C(C5C(C3)/C(=C/CO)/C1)N7C8(C6C9/C(=C/CO)/C[N+]1(C(C8(CC1)c1c7cccc1)C9)C)O)c1c4cccc1)O)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 120ug/kg (0.12mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Helvetica Physiologica et Pharmacologica Acta, Supplementum. Vol. 8, Pg. 1, 1953.