| SpectraBase Compound ID | K1GTn9pFQxJ |
|---|---|
| InChI | InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-18(33-2)17(28)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1 |
| InChIKey | UMQSGTQSQZGJOG-ONGZBVEHSA-N |
| Mol Weight | 505.52 g/mol |
| Molecular Formula | C25H31NO10 |
| Exact Mass | 505.194796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ayDrc5A4MQ |
|---|---|
| Name | 3-O-DEMETHYL-2-O-METHYLISOALANGISIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31NO10 |
| InChI | InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-18(33-2)17(28)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1 |
| InChIKey | UMQSGTQSQZGJOG-ONGZBVEHSA-N |
| Literature Reference Author | A.ITOH,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | J.NAT.PROD.,58,1228(1995) |
| Literature Reference DOI | 10.1021/np50122a011 |
| Molecular Weight | 505.522 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPR1267 |