15-demethoxy-aclacinomycin A
Chemical Formula:
C41H51NO15
Molecular Weight:
797.852 Daltons
Monoisotopic Mass:
798.3336950059 Daltons
SMILES:
CCC4(C(C(=O)[O-])C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)OC7(CCC(C(C)O7)=O))O))[N+](C)C))O)=O)O))=O)))O
InChI:
1S/C41H51NO15/c1-7-41(51)16-27(32-21(34(41)40(49)50)13-22-33(37(32)48)36(47)31-20(35(22)46)9-8-10-25(31)44)55-29-14-23(42(5)6)38(18(3)53-29)57-30-15-26(45)39(19(4)54-30)56-28-12-11-24(43)17(2)52-28/h8-10,13,17-19,23,26-30,34,38-39,44-45,48,51H,7,11-12,14-16H2,1-6H3,(H,49,50)/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15785
PubChem (CID):
90657516
MetaNetX:
MNXM147691