| SpectraBase Compound ID | 586bCkdXkWn |
|---|---|
| InChI | InChI=1S/C32H40O17/c1-13-25(46-19(37)8-5-15-3-6-16(36)7-4-15)24(41)27(44-14(2)35)31(43-13)47-26-17-9-10-42-29(20(17)32(12-34)28(26)49-32)48-30-23(40)22(39)21(38)18(11-33)45-30/h3-10,13,17-18,20-31,33-34,36,38-41H,11-12H2,1-2H3/b8-5+/t13-,17-,18+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | MJKROMQXZSXUPK-ITZZCXASSA-N |
| Mol Weight | 696.7 g/mol |
| Molecular Formula | C32H40O17 |
| Exact Mass | 696.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8VjoQ75Uypt |
|---|---|
| Name | SCROPHULOSIDE-A2 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O17 |
| InChI | InChI=1S/C32H40O17/c1-13-25(46-19(37)8-5-15-3-6-16(36)7-4-15)24(41)27(44-14(2)35)31(43-13)47-26-17-9-10-42-29(20(17)32(12-34)28(26)49-32)48-30-23(40)22(39)21(38)18(11-33)45-30/h3-10,13,17-18,20-31,33-34,36,38-41H,11-12H2,1-2H3/b8-5+/t13-,17-,18+,20-,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | MJKROMQXZSXUPK-ITZZCXASSA-N |
| Literature Reference Author | T.MIYASE,A.MIMATSU |
| Literature Reference Citation | J.NAT.PROD.,62,1079(1999) |
| Literature Reference DOI | 10.1021/np9805746 |
| Molecular Weight | 696.659 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8753 |