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Substance Name: Fumitremorgin A
RN: 12626-18-5
UNII: ZR1C7949XT
InChIKey: ACGHJVZDNQZJOV-BMOJZYMJSA-N

Note

  • Isolated from fungus Aspergillus fumigatus.

Molecular Formula

  • C32-H41-N3-O7

Molecular Weight

  • 579.6899
 
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Names and Synonyms

Name of Substance

  • Fumitremorgin A

Synonyms

  • Fumitremorgin A
  • UNII-ZR1C7949XT

Systematic Names

  • 5H-12H-3,4-Dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methyl-2-butenyl)oxy)-5-(2-methyl-1-propenyl)-, (5R,10S,10aR,14aS,15bS)-
  • 5H-12H-3,4-Dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methyl-2-butenyl)oxy)-5-(2-methyl-1-propenyl)-, (5R-(5-alpha,10-alpha,10a-alpha,14a-alpha,15b-alpha))-

Registry Numbers

CAS Registry Number

  • 12626-18-5

FDA UNII

  • ZR1C7949XT

System Generated Number

  • 0012626185

Structure Descriptors

InChI

1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1

InChIKey

ACGHJVZDNQZJOV-BMOJZYMJSA-N

Smiles

COc1ccc2c3[C@H](OCC=C(C)C)[C@]4(O)N([C@H]5CC(C)(C)OO[C@H](C=C(C)C)n(c35)c2c1)C(=O)[C@@H]6CCCN6C4=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 185ug/kg (0.185mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Journal of Pharmacobio-Dynamics. Vol. 2, Pg. 119, 1979.