18-oxo candicinolide
Chemical Formula:
C53H73NO13
Molecular Weight:
932.159 Daltons
Monoisotopic Mass:
931.5081914358001 Daltons
SMILES:
CC2(C=CC=CC=CC=CC=CC=CC=CC(O)CC1(OC(O)(CC(O)C(C=O)1)CC(O)CC(O)CCCC(=O)CCCC(=O)CC(=O)OC2C(C)CC(C)C(O)CC(=O)C3(C=CC(N)=CC=3)))
InChI:
1S/C53H73NO13/c1-36-18-14-12-10-8-6-4-5-7-9-11-13-15-19-43(58)30-50-46(35-55)49(63)34-53(65,67-50)33-45(60)29-42(57)22-16-20-41(56)21-17-23-44(59)31-51(64)66-52(36)38(3)28-37(2)47(61)32-48(62)39-24-26-40(54)27-25-39/h4-15,18-19,24-27,35-38,42-43,45-47,49-50,52,57-58,60-61,63,65H,16-17,20-23,28-34,54H2,1-3H3/b5-4+,8-6+,9-7+,12-10+,13-11+,18-14+,19-15+
InChIKey:
Databases
MetaCyc:
CPD-17209
PubChem (CID):
91820131
MetaNetX:
MNXM147694