| SpectraBase Compound ID | 8gCIDeMptsP |
|---|---|
| InChI | InChI=1S/C33H42O19/c34-11-22-24(50-23(41)6-3-16-1-4-18(37)20(39)9-16)25(51-30-27(42)32(44,12-35)14-47-30)26(52-31-28(43)33(45,13-36)15-48-31)29(49-22)46-8-7-17-2-5-19(38)21(40)10-17/h1-6,9-10,22,24-31,34-40,42-45H,7-8,11-15H2/b6-3+/t22-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33-/m1/s1 |
| InChIKey | GOOONRUWDVUFHP-SIHULFLNSA-N |
| Mol Weight | 742.7 g/mol |
| Molecular Formula | C33H42O19 |
| Exact Mass | 742.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OkjOYI9t83 |
|---|---|
| Name | FUCATOSIDE_C;1-O-3,4-(DIHYDROXYPHENYL)-ETHYL-O-ALPHA-L-APIOFURANOSYL-(1->2)-O-ALPHA-L-APIOFURANOSYL-(1->3)-4-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O19 |
| InChI | InChI=1S/C33H42O19/c34-11-22-24(50-23(41)6-3-16-1-4-18(37)20(39)9-16)25(51-30-27(42)32(44,12-35)14-47-30)26(52-31-28(43)33(45,13-36)15-48-31)29(49-22)46-8-7-17-2-5-19(38)21(40)10-17/h1-6,9-10,22,24-31,34-40,42-45H,7-8,11-15H2/b6-3+/t22-,24-,25+,26-,27+,28-,29-,30+,31-,32+,33-/m1/s1 |
| InChIKey | GOOONRUWDVUFHP-SIHULFLNSA-N |
| Literature Reference Author | L.D.S.JULIAO,A.L.PICCINELLI,S.MARZOCCO,S.G.LEITAO,C.LOTTI,C. AUTORE,L.RASTRELLI |
| Literature Reference Citation | J.NAT.PROD.,72,1424(2009) |
| Literature Reference DOI | 10.1021/np9002383 |
| Molecular Weight | 742.685 g/mol |
| Sample ID | 33335 |
| Solvent | CD3OD |