| SpectraBase Compound ID | 3LwKtYFbBWN |
|---|---|
| InChI | InChI=1S/C26H35NO11/c1-3-15-16(9-10-27-18(23(32)33)11-14-7-5-4-6-8-14)17(24(34)35-2)13-36-25(15)38-26-22(31)21(30)20(29)19(12-28)37-26/h3-8,13,15-16,18-22,25-31H,1,9-12H2,2H3,(H,32,33)/t15-,16+,18?,19+,20+,21-,22+,25+,26-/m1/s1 |
| InChIKey | IEDHINQMIRRVDA-MRMBJQOMSA-N |
| Mol Weight | 537.6 g/mol |
| Molecular Formula | C26H35NO11 |
| Exact Mass | 537.221011 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HA8AdJzLLh7 |
|---|---|
| Name | L-PHENYLALANINO-SECOLOGANIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H35NO11 |
| InChI | InChI=1S/C26H35NO11/c1-3-15-16(9-10-27-18(23(32)33)11-14-7-5-4-6-8-14)17(24(34)35-2)13-36-25(15)38-26-22(31)21(30)20(29)19(12-28)37-26/h3-8,13,15-16,18-22,25-31H,1,9-12H2,2H3,(H,32,33)/t15-,16+,18?,19+,20+,21-,22+,25+,26-/m1/s1 |
| InChIKey | IEDHINQMIRRVDA-MRMBJQOMSA-N |
| Literature Reference Author | K.MACHIDA,H.SASAKI,T.IIJIMA,M.KIKUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,1041(2002) |
| Literature Reference DOI | 10.1248/cpb.50.1041 |
| Molecular Weight | 537.564 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS6656 |