| SpectraBase Compound ID | 7DgaM5yQE9e |
|---|---|
| InChI | InChI=1S/C22H34O15/c1-2-8-9(3-4-23)10(19(31)32)6-33-20(8)37-22-18(30)16(28)14(26)12(36-22)7-34-21-17(29)15(27)13(25)11(5-24)35-21/h2,6,8-9,11-18,20-30H,1,3-5,7H2,(H,31,32)/t8-,9+,11+,12+,13+,14+,15-,16-,17+,18+,20+,21+,22-/m1/s1 |
| InChIKey | YXHDDPGXYDUSCX-XBZMEBMJSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C22H34O15 |
| Exact Mass | 538.18977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SNYaoKRi44 |
|---|---|
| Name | 6'-O-BETA-GLUCOPYRANOSYL-SECOLOGANOL |
| Compound Number | 132 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H34O15 |
| InChI | InChI=1S/C22H34O15/c1-2-8-9(3-4-23)10(19(31)32)6-33-20(8)37-22-18(30)16(28)14(26)12(36-22)7-34-21-17(29)15(27)13(25)11(5-24)35-21/h2,6,8-9,11-18,20-30H,1,3-5,7H2,(H,31,32)/t8-,9+,11+,12+,13+,14+,15-,16-,17+,18+,20+,21+,22-/m1/s1 |
| InChIKey | YXHDDPGXYDUSCX-XBZMEBMJSA-N |
| Literature Reference Author | B.DINDA,D.R.CHOWDHURY,B.C.MOHANTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,765(2009) |
| Literature Reference DOI | 10.1248/cpb.57.765 |
| Molecular Weight | 538.503 g/mol |
| Sample ID | 2730 |
| Solvent | CD3OD |