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Substance Name: Penitrem B
RN: 11076-67-8
InChIKey: CRPJNVUYZRFGAK-JWQATSIKSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C37-H45-N-O5

Molecular Weight

  • 583.7645
 
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Names and Synonyms

Synonyms

  • BRN 5325727
  • Tremortin B

Systematic Name

  • Penitrem B

Registry Numbers

CAS Registry Number

  • 11076-67-8

System Generated Number

  • 0011076678

Structure Descriptors

InChI

1S/C37H45NO5/c1-16(2)29-28(39)32-37(43-32)23(41-29)11-12-34(6)35(7)20(10-13-36(34,37)40)30-27-26-22(38-31(27)35)9-8-18-14-17(3)19-15-21(25(19)24(18)26)33(4,5)42-30/h8-9,19-21,23,25,28-30,32,38-40H,1,3,10-15H2,2,4-7H3/t19-,20+,21+,23+,25+,28+,29-,30+,32?,34-,35-,36+,37+/m1/s1

InChIKey

CRPJNVUYZRFGAK-JWQATSIKSA-N

Smiles

CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(c6c7c8c([nH]6)ccc9c8[C@H]1[C@H](C[C@@H]1C(O[C@H]75)(C)C)C(=C)C9)C)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5800ug/kg (5.8mg/kg)   "Toxicology, Biochemistry and Pathology of Mycotoxins," Uraguchi, K. and M. Yamazaki, eds., New York, John Wiley & Sons, Inc., 1978Vol. -, Pg. 108, 1978.