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Substance Name: Roridin D
RN: 14682-29-2
InChIKey: XZWOQFZHIMDODQ-KQQUZDAGSA-N

Molecular Formula

  • C29-H38-O9

Molecular Weight

  • 530.61
 
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Names and Synonyms

Name of Substance

  • Roridin D

Synonyms

  • 7'-Deoxo-2'-deoxy-2',3'-epoxy-7'-(1-hydroxyethyl)verrucarin A
  • Roridin-D

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14682-29-2

System Generated Number

  • 0014682292

Structure Descriptors

InChI

1S/C29H38O9/c1-17-9-10-28-15-34-25(32)24-26(3,38-24)11-12-33-19(18(2)30)7-5-6-8-23(31)37-20-14-22(36-21(28)13-17)29(16-35-29)27(20,28)4/h5-8,13,18-22,24,30H,9-12,14-16H2,1-4H3/b7-5+,8-6+

InChIKey

XZWOQFZHIMDODQ-KQQUZDAGSA-N

Smiles

C1[C@@]2([C@@]3([C@@H]4OC(C=CC=C[C@@H](OCC[C@@]5([C@@H](C(OC[C@@]63[C@@H](O[C@@H]2C4)C=C(CC6)C)=O)O5)C)[C@@H](O)C)=O)C)O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2mg/kg (2mg/kg)   Toxicology Letters. Vol. 50, Pg. 57, 1990.