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Substance Name: Trichothec-9-ene-2-alpha,3-alpha,4-beta,8-alpha,15-pentol, 12,13-epoxy-, 4,8,15-triacetate
RN: 102433-79-4
InChIKey: CWJPAXCPOMRICA-HBCNLMGRSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C21-H28-O10

Molecular Weight

  • 440.4422
 
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Names and Synonyms

  • Trichothec-9-ene-2-alpha,3-alpha,4-beta,8-alpha,15-pentol, 12,13-epoxy-, 4,8,15-triacetate

Registry Numbers

CAS Registry Number

  • 102433-79-4

System Generated Number

  • 0102433794

Structure Descriptors

InChI

1S/C21H28O10/c1-10-6-15-19(8-27-11(2)22,7-14(10)29-12(3)23)18(5)17(30-13(4)24)16(25)21(26,31-15)20(18)9-28-20/h6,14-17,25-26H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20?,21-/m0/s1

InChIKey

CWJPAXCPOMRICA-HBCNLMGRSA-N

Smiles

CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@@](C34CO4)(O2)O)O)OC(=O)C)C)COC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200ug/kg (1.2mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 187, 1981.