brassinolide
Chemical Formula:
C28H48O6
Molecular Weight:
480.684 Daltons
Monoisotopic Mass:
480.3450892734 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)))O)O)C)C
InChI:
1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17?,18?,19-,20?,21+,22-,23+,24+,25+,27+,28+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-697
PubChem (CID):
102515088
ChEBI:
28277
KEGG:
C08814