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Substance Name: Repin
RN: 11024-67-2
InChIKey: HQZJODBJOBTCPI-VHCPEVEQSA-N

Note

  • Isolated from knapweed Acroptilon repens; causes equine nigropallidial encephalomacia.

Molecular Formula

  • C19-H22-O7

Molecular Weight

  • 362.376
 
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Names and Synonyms

Name of Substance

  • Repin

Synonym

  • Repin

Systematic Name

  • Oxiranecarboxylic acid, 2-methyl-, decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro(azuleno(4,5-b)furan-9(2H),2'-oxiran)-4-yl ester, (3aR-(3aalpha,4alpha(S*),6aalpha,8beta,9alpha,9aalpha,9bbeta))-

Registry Numbers

CAS Registry Number

  • 11024-67-2

System Generated Number

  • 0011024672

Structure Descriptors

InChI

1S/C19H22O7/c1-8-4-11(25-17(22)18(3)6-23-18)13-9(2)16(21)26-15(13)14-10(8)5-12(20)19(14)7-24-19/h10-15,20H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14+,15+,18-,19-/m0/s1

InChIKey

HQZJODBJOBTCPI-VHCPEVEQSA-N

Smiles

C1O[C@@]1(C(O[C@H]1CC([C@@H]2C[C@H]([C@@]3([C@H]2[C@H]2[C@@H]1C(C(O2)=O)=C)OC3)O)=C)=O)C