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Substance Name: Roritoxin B
RN: 102852-49-3
InChIKey: WWNGAYLSKFTSBS-HJIKTHEYSA-N

Note

  • Isolated from Brazilian shrub.

Molecular Formula

  • C29-H34-O11

Molecular Weight

  • 558.577
 
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Names and Synonyms

Name of Substance

  • Roritoxin B

Synonyms

  • BRN 5688536
  • Roritoxin B

Systematic Name

  • Vertisporin, 7',8'-didehydro-2',3'-epoxy-2',3'-dihydro-

Registry Numbers

CAS Registry Number

  • 102852-49-3

System Generated Number

  • 0102852493

Structure Descriptors

InChI

1S/C29H34O11/c1-15-6-8-26-13-34-23(33)21-28(40-21)9-10-35-27(20(31)22(32)39-24(27)28)7-4-3-5-19(30)38-16-12-18(37-17(26)11-15)29(14-36-29)25(16,26)2/h3-5,7,11,16-18,20-22,24,31-32H,6,8-10,12-14H2,1-2H3/b5-3+,7-4+

InChIKey

WWNGAYLSKFTSBS-HJIKTHEYSA-N

Smiles

O1[C@@H]([C@@H]([C@@]23C=CC=CC(O[C@@H]4[C@@]5([C@@]6([C@@H](O[C@@H]([C@@]75CO7)C4)C=C(CC6)C)COC([C@@H]4[C@@](O4)([C@@H]13)CCO2)=O)C)=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200ug/kg (0.2mg/kg)   Toxicology Letters. Vol. 50, Pg. 57, 1990.