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Substance Name: Roseotoxin B
RN: 55466-29-0
InChIKey: KECQQADFMBQUDM-IXJIIPDYSA-N

Note

  • Isolated from Trichothecium roseum; cyclodepsipeptide.

Molecular Formula

  • C30-H49-N5-O7

Molecular Weight

  • 591.7451
 
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Names and Synonyms

Name of Substance

  • Roseotoxin B

Synonym

  • BRN 1066502

Systematic Names

  • Destruxin A, 1-(trans-3-methyl-L-proline)-
  • Roseotoxin B

Registry Numbers

CAS Registry Number

  • 55466-29-0

System Generated Number

  • 0055466290

Structure Descriptors

InChI

1S/C30H49N5O7/c1-10-12-21(37)25(39)30(17-36,29(6,7)22(38)14-16-33-26(40)20(5)31-8)35(9)28(42)24(18(3)11-2)34-27(41)23-19(4)13-15-32-23/h10-11,17-21,23-24,31-32,37H,1-2,12-16H2,3-9H3,(H,33,40)(H,34,41)/t18-,19-,20-,21?,23-,24-,30+/m0/s1

InChIKey

KECQQADFMBQUDM-IXJIIPDYSA-N

Smiles

C[C@H]1CCN[C@@H]1C(=O)N[C@@H]([C@@H](C)C=C)C(=O)N(C)[C@](C=O)(C(=O)C(CC=C)O)C(C)(C)C(=O)CCNC(=O)[C@H](C)NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 12500ug/kg (12.5mg/kg)   Journal of the American Chemical Society. Vol. 106, Pg. 2388, 1984.
mouse LDLo intraperitoneal 166mg/kg (166mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 1868, 1988.