brassinolide 22-O-sulfate

Chemical Formula:

C₂₈H₄₇O₉S

Molecular Weight:

559.734 Daltons

Monoisotopic Mass:

560.3019038297 Daltons

SMILES:

CC(C(C(C(C(C)C2(C3(CCC4(C1(CC(C(C[CH]1C(=O)OCC([CH](CC2)3)4)O)O)C))(C)))OS(=O)(=O)[O-])O)C)C

InChI:

1S/C28H48O9S/c1-14(2)15(3)24(31)25(37-38(33,34)35)16(4)18-7-8-19-17-13-36-26(32)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-31H,7-13H2,1-6H3,(H,33,34,35)/p-1/t15-,16-,17?,18?,19-,20?,21+,22-,23+,24+,25+,27+,28+/m0/s1

InChIKey:

MDJSEODEPHDJBE-XZDDVQLQSA-M

Databases

MetaCyc: CPD-19794

PubChem (CID): 126961119