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Substance Name: Lolitrem A
RN: 81771-20-2
InChIKey: PXJKIAMLVLKXQP-GTHCCFMRSA-N

Note

  • Neurotoxin from staggers-producing ryegrass pastures.

Molecular Formula

  • C42-H55-N-O8

Molecular Weight

  • 701.8955
 
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Names and Synonyms

Name of Substance

  • Lolitrem A

Systematic Name

  • Lolitrem A

Registry Numbers

CAS Registry Number

  • 81771-20-2

System Generated Number

  • 0081771202

Structure Descriptors

InChI

1S/C42H55NO8/c1-35(2)23-18-21-20(28(44)27(23)36(3,4)51-35)11-12-24-26(21)22-17-19-13-16-41(45)39(9,40(19,10)30(22)43-24)15-14-25-42(41)32(49-42)29-31(46-25)37(5,6)50-34(47-29)33-38(7,8)48-33/h11-12,19,23,25,27,29,31-34,43,45H,13-18H2,1-10H3/t19-,23+,25-,27-,29+,31-,32+,33?,34-,39+,40+,41-,42-/m0/s1

InChIKey

PXJKIAMLVLKXQP-GTHCCFMRSA-N

Smiles

C[C@]12CC[C@H]3[C@@]4([C@@]1(CC[C@@H]5[C@@]2(c6c(c7c([nH]6)ccc8c7C[C@@H]9[C@@H](C8=O)C(OC9(C)C)(C)C)C5)C)O)[C@H](O4)[C@H]1[C@H](O3)C(O[C@H](O1)C1C(O1)(C)C)(C)C