| SpectraBase Compound ID | 15wpOYgy1eh |
|---|---|
| InChI | InChI=1S/C25H32O12/c1-12-8-16-19(25(12,33)11-27)15(23(32)35-16)10-34-24-21(31)20(30)22(17(9-26)36-24)37-18(29)7-4-13-2-5-14(28)6-3-13/h2-7,12,15-17,19-22,24,26-28,30-31,33H,8-11H2,1H3/b7-4+/t12-,15-,16-,17+,19-,20+,21+,22+,24+,25-/m0/s1 |
| InChIKey | PRCZUWUTPHKKKP-QUXYPBBGSA-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 | Mr15UmN63H |
|---|---|
| Name | VERBENABRASIDE-B;9-ALPHA-HYDROXY-GELSEMIOL-3-O-(4'-TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O12 |
| InChI | InChI=1S/C25H32O12/c1-12-8-16-19(25(12,33)11-27)15(23(32)35-16)10-34-24-21(31)20(30)22(17(9-26)36-24)37-18(29)7-4-13-2-5-14(28)6-3-13/h2-7,12,15-17,19-22,24,26-28,30-31,33H,8-11H2,1H3/b7-4+/t12-,15-,16-,17+,19-,20+,21+,22+,24+,25-/m0/s1 |
| InChIKey | PRCZUWUTPHKKKP-QUXYPBBGSA-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 | 55253 |
| Solvent | CD3OD |