CAS 19210-12-9 Harpagoside - Analytical Products / Alfa Chemistry

CAT	APS19210129
CAS	19210-12-9
Structure
MDL Number	MFCD00017415
Synonyms	[1S-[1α,4aα,5α,7α(E),7aα]]-1,4a,5,6,7,7a-Hexahydro-4a,5-dihydroxy-7-methyl-7-[(1-oxo-3-phenyl-2-propenyl)oxy]cyclopenta[c]pyran-1-yl-β-D-glucopyranoside,(1S,4aS,5R,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-4a,5-dihydroxy-7-methyl-7-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-1-yl-β-D-glucopyranoside, E-Harpagoside, Harpagoside
IUPAC Name	[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
Molecular Weight	494.49
Molecular Formula	C24H30O11
EC Number	242-881-6
Canonical SMILES	C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)\C=C\c4ccccc4
InChI	InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1
InChI Key	KVRQGMOSZKPBNS-FMHLWDFHSA-N

Accurate Mass	494.1788
Format	Neat