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Substance Name: Isobrucine
RN: 129724-78-3
InChIKey: XTGYWZXUYFAABL-VNFYOWJWSA-N

Note

  • Isolated from seeds of Strychnos nux-vomica.

Molecular Formula

  • C28-H26-N2-O4

Molecular Weight

  • 394.4684
 
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Names and Synonyms

Name of Substance

  • Isobrucine

Synonym

  • 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one

Systematic Name

  • 12,24-Secostrychnidin-10-one, 12,13-didehydro-2,3-dimethoxy-

Registry Numbers

CAS Registry Number

  • 129724-78-3

System Generated Number

  • 0129724783

Structure Descriptors

InChI

1S/C23H26N2O4/c1-28-18-10-16-17(11-19(18)29-2)25-21(27)4-3-14-15-9-20-23(16,22(14)25)6-7-24(20)12-13(15)5-8-26/h3,5,10-11,15,20,22,26H,4,6-9,12H2,1-2H3/b13-5+/t15-,20-,22-,23?/m0/s1

InChIKey

XTGYWZXUYFAABL-VNFYOWJWSA-N

Smiles

COc1cc2c(cc1OC)N3[C@@H]4C25CCN6[C@H]5C[C@H](C4=CCC3=O)/C(=C/CO)/C6