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Substance Name: Verrucarin A, 7'-deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)-, (2'S,3S,3'R,7'R(R))-
RN: 105563-53-9
InChIKey: VYIKPARQGCJZRA-KQQUZDAGSA-N

Molecular Formula

  • C29-H38-O10

Molecular Weight

  • 546.609
 
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Names and Synonyms

Synonyms

  • (2'S,3S,3'R,7'R(R))-7'-Deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)verrucarin A
  • Bacharinoid B12
  • BRN 5195912

Systematic Name

  • Verrucarin A, 7'-deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)-, (2'S,3S,3'R,7'R(R))-

Registry Numbers

CAS Registry Number

  • 105563-53-9

System Generated Number

  • 0105563539

Structure Descriptors

InChI

1S/C29H38O10/c1-16-9-10-28-14-35-25(33)24-26(3,39-24)11-12-34-18(17(2)30)7-5-6-8-20(31)38-22-21(32)23(37-19(28)13-16)29(15-36-29)27(22,28)4/h5-8,13,17-19,21-24,30,32H,9-12,14-15H2,1-4H3/b7-5+,8-6+

InChIKey

VYIKPARQGCJZRA-KQQUZDAGSA-N

Smiles

O1[C@@H](C=CC=CC(O[C@@H]2[C@@]3([C@@]4(COC([C@@H]5[C@@](CC1)(C)O5)=O)[C@@H](O[C@@H]([C@@]13OC1)[C@@H]2O)C=C(CC4)C)C)=O)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1mg/kg (1mg/kg)   Toxicology Letters. Vol. 50, Pg. 57, 1990.