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Substance Name: Collatolic acid-A''
RN: 522-52-1
InChIKey: QLTNFHFQLMFRBN-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C29-H34-O9

Molecular Weight

  • 526.579
 
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Names and Synonyms

Results Name

  • Collatolic acid-A''

Synonyms

  • 4-19-00-04004 (Beilstein Handbook Reference)
  • alpha-Collatolic acid
  • BRN 0376916
  • Collatolic acid-A''

Systematic Name

  • 11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1,6-bis(2-oxoheptyl)-

Registry Numbers

CAS Registry Number

  • 522-52-1

System Generated Number

  • 0000522521

Structure Descriptors

InChI

1S/C29H34O9/c1-4-6-8-10-18(30)12-17-13-20(36-3)15-23-25(17)29(35)38-24-16-22(32)26(28(33)34)21(27(24)37-23)14-19(31)11-9-7-5-2/h13,15-16,32H,4-12,14H2,1-3H3,(H,33,34)

InChIKey

QLTNFHFQLMFRBN-UHFFFAOYSA-N

Smiles

c12c(c(c(O)cc1OC(=O)c1c(O2)cc(OC)cc1CC(CCCCC)=O)C(O)=O)CC(CCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 150mg/kg (150mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 9, Pg. 57, 1982.