Met005353: Parvifoliside

Metabolite Information

Name

Parvifoliside

IUPAC Name

(1R,2S,3S,5S,7R,8S,9S,10S,11R,15S)-12,12-dimethyl-6-methylidene-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15-tetrol

Molecular Formula

C26H40O11

Molecular Weight

528.6

Exact Mass

528.2570621

SMILES

CC1(CCC(C23C1C(C(C45C2C(CC(C4)C(=C)C5O)OC6C(C(C(C(O6)CO)O)O)O)(OC3)O)O)O)C

InChIKey

AEHSHPSACZNIDN-QOROFIBHSA-N

InChI

InChI=1S/C26H40O11/c1-10-11-6-12(36-22-17(31)16(30)15(29)13(8-27)37-22)18-24-9-35-26(34,25(18,7-11)20(10)32)21(33)19(24)23(2,3)5-4-14(24)28/h11-22,27-34H,1,4-9H2,2-3H3/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21+,22-,24+,25+,26-/m1/s1