castasterone 22-O-sulfate

castasterone 22-<i>O</i>-sulfate




Chemical Formula:
C28H47O8S
Molecular Weight:
543.734 Daltons
Monoisotopic Mass:
544.3069892076 Daltons
SMILES:
CC(C)C(C)C(O)C(OS(=O)(=O)[O-])C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))
InChI:
1S/C28H48O8S/c1-14(2)15(3)25(32)26(36-37(33,34)35)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-32H,7-13H2,1-6H3,(H,33,34,35)/p-1/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
InChIKey:
JMSXZQCXTAJBSO-YLNAYWRASA-M

Databases
MetaCyc:  CPD-19795
PubChem (CID):  126961041