| SpectraBase Compound ID | Bc41Ei1GkjH |
|---|---|
| InChI | InChI=1S/C30H36O12/c1-12-8-19(34)24-14(3)29(38)42-27(24)23-13(2)20(10-16(12)23)39-30-28(26(37)25(36)21(11-31)40-30)41-22(35)7-5-15-4-6-17(32)18(33)9-15/h4-7,9,14,16,19-21,23-28,30-34,36-37H,1-2,8,10-11H2,3H3/b7-5+/t14-,16+,19+,20+,21-,23+,24-,25-,26+,27-,28-,30-/m1/s1 |
| InChIKey | GTXJTCMGBHOAQX-HBNJJJMWSA-N |
| Mol Weight | 588.6 g/mol |
| Molecular Formula | C30H36O12 |
| Exact Mass | 588.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfXJgwcfJI1 |
|---|---|
| Name | 2'-O-E-CAFFEOYL-8-ALPHA-HYDROXY-11-ALPHA,13-DIHYDRO-3-ALPHA-O-BETA-D-GLUCOZALUZANIN-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H36O12 |
| InChI | InChI=1S/C30H36O12/c1-12-8-19(34)24-14(3)29(38)42-27(24)23-13(2)20(10-16(12)23)39-30-28(26(37)25(36)21(11-31)40-30)41-22(35)7-5-15-4-6-17(32)18(33)9-15/h4-7,9,14,16,19-21,23-28,30-34,36-37H,1-2,8,10-11H2,3H3/b7-5+/t14-,16+,19+,20+,21-,23+,24-,25-,26+,27-,28-,30-/m1/s1 |
| InChIKey | GTXJTCMGBHOAQX-HBNJJJMWSA-N |
| Literature Reference Author | H.WANG,M.YAN,G.LIU,P.LI,X.Q.ZHANG,W.C.YE,L.Y.ZHANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,597(2009) |
| Literature Reference DOI | 10.1248/cpb.57.597 |
| Molecular Weight | 588.609 g/mol |
| Sample ID | 2492 |
| Solvent | CD3OD |