Systematic / IUPAC Name: (1S,4aS,5R,7S,7aS)-1-(β-D-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl (2E)-3-phenylacrylate
ID: Reference8252
Other Names:
E-Harpagoside;
(1S-(1α,4Aalpha,5α,7α(E),7aalpha))-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-7-((allyl-1-oxo-3-phenyl)oxy)cyclopenta(c)pyran-1-yl-β-D-glucopyranoside;
[(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;
b-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
Formula: C24H30O11
Harpagoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 3 |
No. of Spectra | 3469 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 10/17/2018 7:33:19 AM |
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 |
Canonical SMILES | CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4 |
CAS | 19210129 |
Splash | |
Other Names |
E-Harpagoside; (1S-(1α,4Aalpha,5α,7α(E),7aalpha))-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-7-((allyl-1-oxo-3-phenyl)oxy)cyclopenta(c)pyran-1-yl-β-D-glucopyranoside; [(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; b-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 |
KEGG | C09783 |
ChemSpider | 4444874 |
PubChem | 5281542 |
ChEMBL | CHEMBL516702; M15421 |
ChemIDPlus | 019210129 |
Wikipedia | Harpagoside |
ChEBI | CHEBI:5625 |