| SpectraBase Compound ID | Axrs8ZXQde6 |
|---|---|
| InChI | InChI=1S/C21H28O14/c22-6-11-14(26)16(28)18(30)20(33-11)32-10-3-1-8(5-9(10)24)2-4-13(25)35-21-19(31)17(29)15(27)12(7-23)34-21/h1-5,11-12,14-24,26-31H,6-7H2/b4-2+/t11-,12+,14-,15+,16+,17-,18-,19+,20-,21-/m0/s1 |
| InChIKey | NCWAFVQNRSHJMH-RBIQAWLDSA-N |
| Mol Weight | 504.44 g/mol |
| Molecular Formula | C21H28O14 |
| Exact Mass | 504.147906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWcdfJ570Ey |
|---|---|
| Name | BETA-D-GLUCOPYRANOSYL-4-O-BETA-D-GLUCOPYRANOSYLCAFFEATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O14 |
| InChI | InChI=1S/C21H28O14/c22-6-11-14(26)16(28)18(30)20(33-11)32-10-3-1-8(5-9(10)24)2-4-13(25)35-21-19(31)17(29)15(27)12(7-23)34-21/h1-5,11-12,14-24,26-31H,6-7H2/b4-2+/t11-,12+,14-,15+,16+,17-,18-,19+,20-,21-/m0/s1 |
| InChIKey | NCWAFVQNRSHJMH-RBIQAWLDSA-N |
| Literature Reference Author | H.BRAHAM,Z.MIGHRI,H.B.JANNET,S.MATTHEW,P.M.ABREU |
| Literature Reference Citation | J.NAT.PROD.,68,517(2005) |
| Literature Reference DOI | 10.1021/np049581m |
| Molecular Weight | 504.445 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9610 |