| SpectraBase Compound ID | CYKIIKiR3vb |
|---|---|
| InChI | InChI=1S/C32H50O14/c1-14(10-33)16-9-15-5-6-19-31(2,13-43-29-26(41)24(39)21(36)17(11-34)44-29)7-4-8-32(19,3)20(15)23(38)28(16)46-30-27(42)25(40)22(37)18(12-35)45-30/h9,14,17-19,21-22,24-27,29-30,33-42H,4-8,10-13H2,1-3H3/t14?,17-,18-,19-,21-,22-,24+,25+,26-,27-,29-,30+,31+,32-/m0/s1 |
| InChIKey | AKJKBBDQAFRAJQ-BWQMGCJOSA-N |
| Mol Weight | 658.7 g/mol |
| Molecular Formula | C32H50O14 |
| Exact Mass | 658.320056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWAmZqDLbbO |
|---|---|
| Name | AJUGASIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O14 |
| InChI | InChI=1S/C32H50O14/c1-14(10-33)16-9-15-5-6-19-31(2,13-43-29-26(41)24(39)21(36)17(11-34)44-29)7-4-8-32(19,3)20(15)23(38)28(16)46-30-27(42)25(40)22(37)18(12-35)45-30/h9,14,17-19,21-22,24-27,29-30,33-42H,4-8,10-13H2,1-3H3/t14?,17-,18-,19-,21-,22-,24+,25+,26-,27-,29-,30+,31+,32-/m0/s1 |
| InChIKey | AKJKBBDQAFRAJQ-BWQMGCJOSA-N |
| Literature Reference Author | M.TAKASAKI,I.YAMAUCHI,M.HARUNA,T.KONOSHIMA |
| Literature Reference Citation | J.NAT.PROD.,61,1105(1998) |
| Literature Reference DOI | 10.1021/np980148k |
| Molecular Weight | 658.741 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP2105 |