(22R,23R)-28-homocastasterone 22-O-sulfate
Chemical Formula:
C29H49O8S
Molecular Weight:
557.761 Daltons
Monoisotopic Mass:
558.3226392718 Daltons
SMILES:
CCC(C(C(C(C2(C3(CCC4(C1(CC(C(C[CH]1C(=O)CC(C(CC2)3)4)O)O)C))(C)))C)OS(=O)([O-])=O)O)C(C)C
InChI:
1S/C29H50O8S/c1-7-17(15(2)3)26(33)27(37-38(34,35)36)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-33H,7-14H2,1-6H3,(H,34,35,36)/p-1/t16-,17-,18?,19?,20?,21?,22+,24-,25+,26+,27+,28+,29+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-11828
PubChem (CID):
45479420
Seed:
cpd23097
MetaNetX:
MNXM13509