![#6;SCOLOPOSIDE-E;2-(2,6-DICYCLOPENT-2-ENOYL-BETA-GLUCOPYRANOSYLOXY)-7-[2-(3-CYCLOPENT-2-ENOYL)-1,3-DIHYDROXY-6-OXO-CYCLOHEXANOYL]-5-HYDROXYBENZYL-ALCOHOL](/api/spectrum/EJwN1YZwdYl/structure.png?h=300&w=458 "#6;SCOLOPOSIDE-E;2-(2,6-DICYCLOPENT-2-ENOYL-BETA-GLUCOPYRANOSYLOXY)-7-[2-(3-CYCLOPENT-2-ENOYL)-1,3-DIHYDROXY-6-OXO-CYCLOHEXANOYL]-5-HYDROXYBENZYL-ALCOHOL")
| SpectraBase Compound ID | C4MZn1U5MsV |
|---|---|
| InChI | InChI=1S/2C38H44O16/c2*39-24-13-15-26(23(17-24)18-50-37(47)38(48)28(41)16-14-25(40)32(38)54-35(46)22-11-5-6-12-22)51-36-31(53-34(45)21-9-3-4-10-21)30(43)29(42)27(52-36)19-49-33(44)20-7-1-2-8-20/h2*1,3,5,7,9,11,13,15,17,20-22,25,27,29-32,36,39-40,42-43,48H,2,4,6,8,10,12,14,16,18-19H2/t2*20?,21?,22?,25-,27-,29-,30+,31-,32+,36-,38?/m00/s1 |
| InChIKey | BEXCQLOBMKGMIO-NGYRKBDZSA-N |
| Mol Weight | 1513.5 g/mol |
| Molecular Formula | C76H88O32 |
| Exact Mass | 1512.525871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJwN1YZwdYl |
|---|---|
| Name | #6;SCOLOPOSIDE-E;2-(2,6-DICYCLOPENT-2-ENOYL-BETA-GLUCOPYRANOSYLOXY)-7-[2-(3-CYCLOPENT-2-ENOYL)-1,3-DIHYDROXY-6-OXO-CYCLOHEXANOYL]-5-HYDROXYBENZYL-ALCOHOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H88O32 |
| InChI | InChI=1S/2C38H44O16/c2*39-24-13-15-26(23(17-24)18-50-37(47)38(48)28(41)16-14-25(40)32(38)54-35(46)22-11-5-6-12-22)51-36-31(53-34(45)21-9-3-4-10-21)30(43)29(42)27(52-36)19-49-33(44)20-7-1-2-8-20/h2*1,3,5,7,9,11,13,15,17,20-22,25,27,29-32,36,39-40,42-43,48H,2,4,6,8,10,12,14,16,18-19H2/t2*20?,21?,22?,25-,27-,29-,30+,31-,32+,36-,38?/m00/s1 |
| InChIKey | BEXCQLOBMKGMIO-NGYRKBDZSA-N |
| Literature Reference Author | K.SHAARI,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,36,1021(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90483-7 |
| Molecular Weight | 1513.516 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS26140 |