| SpectraBase Compound ID | E3xcCEAn3Yz |
|---|---|
| InChI | InChI=1S/C49H93NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-45(53)50-42(41-57-49-48(56)47(55)46(54)44(40-51)58-49)43(52)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h28,30,36,38,42-44,46-49,51-52,54-56H,3-27,29,31-35,37,39-41H2,1-2H3,(H,50,53)/b30-28+,38-36+/t42-,43+,44-,46-,47+,48-,49-/m1/s1 |
| InChIKey | GOVPHPDMLRTVEF-NISONZDQSA-N |
| Mol Weight | 824.3 g/mol |
| Molecular Formula | C49H93NO8 |
| Exact Mass | 823.690119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iLTco7aCm7 |
|---|---|
| Name | ODORASIDE-B;1-O-(BETA-D-GLUCOPYRANOSYL)-(4E,8E,2S,3R)-2-N-TRICOSANOYL-4,6-EICOSASPHINGADIENINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H93NO8 |
| InChI | InChI=1S/C49H93NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-45(53)50-42(41-57-49-48(56)47(55)46(54)44(40-51)58-49)43(52)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h28,30,36,38,42-44,46-49,51-52,54-56H,3-27,29,31-35,37,39-41H2,1-2H3,(H,50,53)/b30-28+,38-36+/t42-,43+,44-,46-,47+,48-,49-/m1/s1 |
| InChIKey | GOVPHPDMLRTVEF-NISONZDQSA-N |
| Literature Reference Author | S.PERVEEN,N.M.AL-MUSAYEIB |
| Literature Reference Citation | J.AS.NAT.PROD.RES.,16,753(2014) |
| Literature Reference DOI | 10.1080/10286020.2014.915815 |
| Molecular Weight | 824.279 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWPA9211 |