(22R,23R)-28-homobrassinolide 22-sulfate
Chemical Formula:
C29H49O9S
Molecular Weight:
573.761 Daltons
Monoisotopic Mass:
574.3175538939 Daltons
SMILES:
CCC(C(C)C)C(O)C(OS(=O)(=O)[O-])C(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2COC(=O)[CH]4(C(C)3CC(O)C(O)C4))))
InChI:
1S/C29H50O9S/c1-7-17(15(2)3)25(32)26(38-39(34,35)36)16(4)19-8-9-20-18-14-37-27(33)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-32H,7-14H2,1-6H3,(H,34,35,36)/p-1/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25+,26+,28+,29+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-11826
PubChem (CID):
45479359
Seed:
cpd23095
MetaNetX:
MNXM13508