| SpectraBase Compound ID | aYqY9lSptY |
|---|---|
| InChI | InChI=1S/C51H99NO8/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-47(55)52-44(43-59-51-50(58)49(57)48(56)46(42-53)60-51)45(54)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h38,40,44-46,48-51,53-54,56-58H,3-37,39,41-43H2,1-2H3,(H,52,55)/b40-38+/t44-,45+,46-,48-,49+,50-,51-/m1/s1 |
| InChIKey | ZYSYNJBYOVKEPZ-BJSAOTPQSA-N |
| Mol Weight | 854.4 g/mol |
| Molecular Formula | C51H99NO8 |
| Exact Mass | 853.737069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYjovqm9PMT |
|---|---|
| Name | ODORASIDE-A;1-O-(BETA-D-GLUCOPYRANOSYL)-(4E,2S,3R)-2-N-TRICOSANOYL-4-DOCOSASPHINGENINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H99NO8 |
| InChI | InChI=1S/C51H99NO8/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-47(55)52-44(43-59-51-50(58)49(57)48(56)46(42-53)60-51)45(54)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h38,40,44-46,48-51,53-54,56-58H,3-37,39,41-43H2,1-2H3,(H,52,55)/b40-38+/t44-,45+,46-,48-,49+,50-,51-/m1/s1 |
| InChIKey | ZYSYNJBYOVKEPZ-BJSAOTPQSA-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 | 854.349 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWPA9210 |