| SpectraBase Compound ID | 3MrnjchKocR |
|---|---|
| InChI | InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-13(32-14)8-2-3-12(9(24)4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1 |
| InChIKey | FKEFURJFBYTFMP-IWLDQSELSA-N |
| Mol Weight | 478.41 g/mol |
| Molecular Formula | C22H22O12 |
| Exact Mass | 478.111126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8V9o3odUyZK |
|---|---|
| Name | NEPETIN-4'-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O12 |
| InChI | InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-13(32-14)8-2-3-12(9(24)4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1 |
| InChIKey | FKEFURJFBYTFMP-IWLDQSELSA-N |
| Literature Reference Author | T.IWASHINA,K.KAMENOSONO,T.UENO |
| Literature Reference Citation | PHYTOCHEM.,51,1109(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00178-8 |
| Molecular Weight | 478.409 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN11038 |