candicinolide
Chemical Formula:
C53H75NO12
Molecular Weight:
918.175 Daltons
Monoisotopic Mass:
917.5289268779 Daltons
SMILES:
CC2(C=CC=CC=CC=CC=CC=CC=CC(O)CC1(OC(O)(CC(O)C(C)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/C53H75NO12/c1-36-19-15-13-11-9-7-5-6-8-10-12-14-16-20-44(57)31-50-39(4)49(62)35-53(64,66-50)34-46(59)30-43(56)23-17-21-42(55)22-18-24-45(58)32-51(63)65-52(36)38(3)29-37(2)47(60)33-48(61)40-25-27-41(54)28-26-40/h5-16,19-20,25-28,36-39,43-44,46-47,49-50,52,56-57,59-60,62,64H,17-18,21-24,29-35,54H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,19-15+,20-16+
InChIKey:
Databases
MetaCyc:
CPD-17193
PubChem (CID):
91820053
MetaNetX:
MNXM147445