Nemadectin

Molecular Formula: C₃₆H₅₂O₈

InChI: InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10-/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1

InChIKey: InChIKey=YNFMRVVYUVPIAN-RPGLZKLOBZ
SMILES: CC1CC(=CCC2CC(CC3(O2)CC(C(C(O3)C(=CC(C)C)C)C)O)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C

Names:
    CL 287,088
    F28249alpha
    Nemadectina [INN-Spanish]
    Nemadectine [INN-French]
    Nemadectinum [INN-Latin]
    Nemadectin [USAN:INN]
    Nemadectin
    (2aE,4E,4'S,5'S,6R,6'S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-((E)-1,3-Dimethyl-1-butenyl)-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydro-4',20,20b-trihydroxy-5',6,8,19-tetramethylspiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-17-one
    (6R,23S,25S)-5-O-Demethyl-28-deoxy-25-((E)-1,3-dimethyl-1-butenyl)-6,28-epoxy-23-hydroxymilbemycin B
    102130-84-7

Registries:
    PubChem CID 6436124
    PubChem ID 213527