24-epicathasterone-22-O-sulfate
Chemical Formula:
C28H47O6S
Molecular Weight:
511.736 Daltons
Monoisotopic Mass:
512.3171599634 Daltons
SMILES:
CC(C(CC(C(C2(C3(CCC4(C1(CCC(C[CH]1C(CC(C(CC2)3)4)=O)O)C))(C)))C)OS(=O)([O-])=O)C)C
InChI:
1S/C28H48O6S/c1-16(2)17(3)13-26(34-35(31,32)33)18(4)21-7-8-22-20-15-25(30)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-24,26,29H,7-15H2,1-6H3,(H,31,32,33)/p-1/t17-,18-,19-,20?,21?,22?,23?,24+,26-,27+,28+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-11839
Seed:
cpd23101
MetaNetX:
MNXM14426