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Substance Name: Mycotrienin
RN: 11050-90-1
InChIKey: VVJDHJZQBGWPEQ-NXBJUTJHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C36-H50-N2-O8

Molecular Weight

  • 638.797
 
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Names and Synonyms

  • Mycotrienin

Registry Numbers

CAS Registry Number

  • 11050-90-1

System Generated Number

  • 0011050901

Structure Descriptors

InChI

1S/C36H50N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,39,41-42H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14+/t24-,25-,29+,31+,33+/m1/s1

InChIKey

VVJDHJZQBGWPEQ-NXBJUTJHSA-N

Smiles

C[C@@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)Nc2cc(cc(c2O)CC/C=C(/[C@@H]1O)\C)O)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   Journal of Antibiotics, Series A. Vol. 20, Pg. 329, 1967.