| 2D Structure | |
| CID | 159134 |
| IUPAC Name | [(2R,3R,4S,5R,6S)-4-acetyloxy-2-(acetyloxymethyl)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-5-benzoyloxyoxan-3-yl] 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate |
| InChI | InChI=1S/C40H44O20/c1-4-21-22-13-14-51-36(49)24(22)16-53-38(21)60-40-34(59-35(48)20-9-6-5-7-10-20)33(54-19(3)43)32(27(57-40)17-52-18(2)42)58-37(50)23-11-8-12-25(28(23)44)55-39-31(47)30(46)29(45)26(15-41)56-39/h4-12,16,21-22,26-27,29-34,38-41,44-47H,1,13-15,17H2,2-3H3/t21-,22+,26-,27-,29-,30+,31-,32-,33+,34-,38+,39-,40+/m1/s1 |
| InChI Key | SABFJVXXJPRXKP-CFWZQYDDSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C40H44O20 |
| Molecular Weight | 844.8 |
| synonyms | ['Scabraside', '87686-79-1', '[(2R,3R,4S,5R,6S)-4-acetyloxy-2-(acetyloxymethyl)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-5-benzoyloxyoxan-3-yl] 2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate', 'SCHEMBL29655361', 'CHEBI:81381', 'DTXSID601007732', '1H,3H-Pyrano(3,4-c)pyran-1-one, 6-((3,6-di-O-acetyl-2-O-benzoyl-4-O-(3-(beta-D-glucopyranosyloxy)-2-hydroxybenzoyl)-beta-D-glucopyranosyl)oxy)-5-ethenyl-4,4a,5,6-tetrahydro-, (4aS,5R,6S)-', 'C17918', 'Q27155319', '5-Ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 3,6-di-O-acetyl-2-O-benzoyl-4-O-[3-(hexopyranosyloxy)-2-hydroxybenzoyl]hexopyranoside'] |
From Pubchem