| SpectraBase Compound ID | Kj1nhpEVhlP |
|---|---|
| InChI | InChI=1S/C25H32O12/c1-11-6-17-20(13(11)8-26)14(24(33)35-17)10-34-25-22(32)21(31)23(18(9-27)36-25)37-19(30)5-3-12-2-4-15(28)16(29)7-12/h2-5,7,11,13-14,17-18,20-23,25-29,31-32H,6,8-10H2,1H3/b5-3+/t11-,13+,14-,17-,18+,20-,21+,22+,23+,25+/m0/s1 |
| InChIKey | YLXHBUXEDMVNGL-KVWIEXSUSA-N |
| Mol Weight | 524.5 g/mol |
| Molecular Formula | C25H32O12 |
| Exact Mass | 524.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSQBzwDieLC |
|---|---|
| Name | VERBENABRASIDE-A;GELSEMIOL-3-O-(4'-TRANS-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O12 |
| InChI | InChI=1S/C25H32O12/c1-11-6-17-20(13(11)8-26)14(24(33)35-17)10-34-25-22(32)21(31)23(18(9-27)36-25)37-19(30)5-3-12-2-4-15(28)16(29)7-12/h2-5,7,11,13-14,17-18,20-23,25-29,31-32H,6,8-10H2,1H3/b5-3+/t11-,13+,14-,17-,18+,20-,21+,22+,23+,25+/m0/s1 |
| InChIKey | YLXHBUXEDMVNGL-KVWIEXSUSA-N |
| Literature Reference Author | M.ONO,K.OISHI,H.ABE,C.MASUOKA,M.OKAWA,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1421(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1421 |
| Molecular Weight | 524.522 g/mol |
| Sample ID | 55252 |
| Solvent | CD3OD |