20-dihydrorosamicin
Chemical Formula:
C31H54NO9
Molecular Weight:
584.769 Daltons
Monoisotopic Mass:
584.3798573375 Daltons
SMILES:
CCC2(C(C)C3(OC(C=CC(C(C)CC(CCO)C(OC1(OC(C)CC([N+](C)C)C(O)1))C(C)C(O)CC(O2)=O)=O)(C)3))
InChI:
1S/C31H53NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12,17-22,24-25,27-30,33,35,37H,9,11,13-16H2,1-8H3/p+1/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29?,30-,31?/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18074
PubChem (CID):
91820453
MetaNetX:
MNXM147748