3,24-dioxo-cholest-4-en-26-oate
Chemical Formula:
C27H39O4
Molecular Weight:
427.603 Daltons
Monoisotopic Mass:
428.2926597724 Daltons
SMILES:
CC(CCC(=O)C(C(=O)[O-])C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))
InChI:
1S/C27H40O4/c1-16(5-10-24(29)17(2)25(30)31)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h15-17,20-23H,5-14H2,1-4H3,(H,30,31)/p-1/t16-,17?,20+,21-,22+,23+,26+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13801
PubChem (CID):
102514966
Seed:
cpd24052
MetaNetX:
MNXM9941