Met002170: L-Oleandrosyl-oleandolide

Metabolite Information

Name

L-Oleandrosyl-oleandolide

IUPAC Name

(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6,14-dihydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione

Molecular Formula

C27H46O10

Molecular Weight

530.6

Exact Mass

530.3090977

SMILES

CC1CC2(CO2)C(=O)C(C(C(C(OC(=O)C(C(C(C1O)C)OC3CC(C(C(O3)C)O)OC)C)C)C)O)C

InChIKey

WBLQSDZLJBWRPL-WQMXQYMNSA-N

InChI

InChI=1S/C27H46O10/c1-12-10-27(11-34-27)25(31)15(4)22(29)13(2)17(6)36-26(32)16(5)24(14(3)21(12)28)37-20-9-19(33-8)23(30)18(7)35-20/h12-24,28-30H,9-11H2,1-8H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,27+/m0/s1