Dihydromycoplanecin A

Molecular Formula: C61H104N10O13


InChI: InChI=1/C61H104N10O13/c1-19-40-29-46(71(32-40)61(83)50(37(11)12)67(17)59(81)47(72)20-2)58(80)68(18)51-39(14)84-48(73)30-62-52(74)44(27-35(7)8)65(15)57(79)43-22-21-25-69(43)60(82)49(36(9)10)66(16)55(77)41(24-23-33(3)4)63-53(75)45-28-38(13)31-70(45)56(78)42(26-34(5)6)64-54(51)76/h33-47,49-51,72H,19-32H2,1-18H3,(H,62,74)(H,63,75)(H,64,76)/t38u,39-,40u,41-,42+,43-,44+,45-,46-,47?,49+,50-,51-/m0/s1/f/h62-64H

InChIKey: InChIKey=FKXYYGSDGSWQIM-RQSASXQJDG
SMILES: CCC1CC(N(C1)C(=O)C(C(C)C)N(C)C(=O)C(CC)O)C(=O)N(C)C2C(OC(=O)CNC(=O)C(N(C(=O)C3CCCN3C(=O)C(N(C(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C

Names:
    Dihydromycoplanecin A
    Mycoplanecin A, dihydro-
    Mycoplanecin A, 1-(N-(2-hydroxy-1-oxobutyl)-N-methylvaline)-
    79003-68-2

Registries:
    PubChem CID 73367
    PubChem ID 215621