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Substance Name: Aerocavin
RN: 113702-00-4
InChIKey: OJPUZRWFAWDJHP-DSACNGRVSA-N

Note

  • Isolated from Chromobacterium violaceum.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C27-H44-O6

Molecular Weight

  • 464.639
 
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Names and Synonyms

Name of Substance

  • Aerocavin

Synonym

  • Aerocavin

Systematic Name

  • Oxacyclotetradeca-3,6,9-triene-4-acetic acid, 12-hydroxy-14-(2-hydroxyundecyl)-10-methyl-2-oxo-, (3E,6E,9E,12R*,14S*(R*))-(+)-

Registry Numbers

CAS Registry Number

  • 113702-00-4

System Generated Number

  • 0113702004

Structure Descriptors

InChI

1S/C27H44O6/c1-3-4-5-6-7-8-12-15-23(28)19-25-20-24(29)16-21(2)13-10-9-11-14-22(17-26(30)31)18-27(32)33-25/h9,11,13,18,23-25,28-29H,3-8,10,12,14-17,19-20H2,1-2H3,(H,30,31)/b11-9-,21-13-,22-18+/t23-,24-,25+/m1/s1

InChIKey

OJPUZRWFAWDJHP-DSACNGRVSA-N

Smiles

O1C(C=C(CC=CCC=C(C[C@H](C[C@@H]1C[C@@H](CCCCCCCCC)O)O)C)CC(=O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 446, 1988.