| SpectraBase Compound ID | 71qgUBUaTon |
|---|---|
| InChI | InChI=1S/C26H34O12/c1-34-18-8-13(3-5-16(18)29)7-15-11-36-24(26(15,33)12-28)14-4-6-17(19(9-14)35-2)37-25-23(32)22(31)21(30)20(10-27)38-25/h3-6,8-9,15,20-25,27-33H,7,10-12H2,1-2H3/t15-,20+,21+,22-,23+,24+,25+,26+/m0/s1 |
| InChIKey | YNILFPFIHDDVTO-MJBJHNMPSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C26H34O12 |
| Exact Mass | 538.205027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8L4bsXQwMtd |
|---|---|
| Name | MEDUSASIDE-B;(-)-BERCHEMOL-4-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34O12 |
| InChI | InChI=1S/C26H34O12/c1-34-18-8-13(3-5-16(18)29)7-15-11-36-24(26(15,33)12-28)14-4-6-17(19(9-14)35-2)37-25-23(32)22(31)21(30)20(10-27)38-25/h3-6,8-9,15,20-25,27-33H,7,10-12H2,1-2H3/t15-,20+,21+,22-,23+,24+,25+,26+/m0/s1 |
| InChIKey | YNILFPFIHDDVTO-MJBJHNMPSA-N |
| Literature Reference Author | C.Q.FAN,J.M.YUE |
| Literature Reference Citation | BIOORG.MED.CHEM.,11,703(2003) |
| Literature Reference DOI | 10.1016/S0968-0896(02)00470-4 |
| Molecular Weight | 538.549 g/mol |
| Sample ID | 38591 |
| Solvent | CD3OD |