Met002004: Mezzettiaside 9

Metabolite Information

Name

Mezzettiaside 9

IUPAC Name

[(2S,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6S)-3,4-diacetyloxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-2-methyl-6-octoxyoxan-3-yl] hexanoate

Molecular Formula

C30H52O12

Molecular Weight

604.7

Exact Mass

604.3458771

SMILES

CCCCCCCCOC1C(C(C(C(O1)C)OC(=O)CCCCC)OC2C(C(C(C(O2)C)O)OC(=O)C)OC(=O)C)O

InChIKey

RDCMFBVGEZABQK-UWVAMOTESA-N

InChI

InChI=1S/C30H52O12/c1-7-9-11-12-13-15-17-36-29-24(35)27(25(19(4)38-29)41-22(33)16-14-10-8-2)42-30-28(40-21(6)32)26(39-20(5)31)23(34)18(3)37-30/h18-19,23-30,34-35H,7-17H2,1-6H3/t18-,19-,23-,24+,25-,26+,27-,28+,29+,30-/m0/s1