| SpectraBase Compound ID | J2PMbn8aSw0 |
|---|---|
| InChI | InChI=1S/C22H30O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)15(27)18(12(6-24)34-22)35-21-16(28)14(26)13(25)11(5-23)33-21/h2-3,7-8,11-18,20-29H,1,4-6H2/t8-,11-,12+,13-,14+,15+,16-,17+,18+,20+,21+,22-/m0/s1 |
| InChIKey | MEDNMSXQVOHQIF-OBPIHMDJSA-N |
| Mol Weight | 518.47 g/mol |
| Molecular Formula | C22H30O14 |
| Exact Mass | 518.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbzMClNtraT |
|---|---|
| Name | 4'-O-BETA-D-GLUCOPYRANOSYLGENTIOPICROSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O14 |
| InChI | InChI=1S/C22H30O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)15(27)18(12(6-24)34-22)35-21-16(28)14(26)13(25)11(5-23)33-21/h2-3,7-8,11-18,20-29H,1,4-6H2/t8-,11-,12+,13-,14+,15+,16-,17+,18+,20+,21+,22-/m0/s1 |
| InChIKey | MEDNMSXQVOHQIF-OBPIHMDJSA-N |
| Literature Reference Author | R.KAKUDA,T.IIJIMA,Y.YAOITA,K.MACHIDA,M.KIKUCHI |
| Literature Reference Citation | J.NAT.PROD.,64,1574(2001) |
| Literature Reference DOI | 10.1021/np010358o |
| Molecular Weight | 518.472 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2428 |