![1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8Z)-2-[(2(R)-HYDROXYICOSANOYL)-AMIDO]-4,8-OCTADECADIENE-1,3-DIOL;CEREBROSIDE-1](/api/spectrum/DYEh72bQTZG/structure.png?h=300&w=458 "1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8Z)-2-[(2(R)-HYDROXYICOSANOYL)-AMIDO]-4,8-OCTADECADIENE-1,3-DIOL;CEREBROSIDE-1")
| SpectraBase Compound ID | H00vqHLSNSS |
|---|---|
| InChI | InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22-,32-30+/t36-,37+,38?,39-,40-,41+,42-,44-/m1/s1 |
| InChIKey | DCBUKXJYPRDHOR-QPJHPZQASA-N |
| Mol Weight | 770.1 g/mol |
| Molecular Formula | C44H83NO9 |
| Exact Mass | 769.606783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYEh72bQTZG |
|---|---|
| Name | 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8Z)-2-[(2(R)-HYDROXYICOSANOYL)-AMIDO]-4,8-OCTADECADIENE-1,3-DIOL;CEREBROSIDE-1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H83NO9 |
| InChI | InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22-,32-30+/t36-,37+,38?,39-,40-,41+,42-,44-/m1/s1 |
| InChIKey | DCBUKXJYPRDHOR-QPJHPZQASA-N |
| Literature Reference Author | J.H.JUNG,C.O.LEE,Y.C.KIM,S.S.KANG |
| Literature Reference Citation | J.NAT.PROD.,59,319(1996) |
| Literature Reference DOI | 10.1021/np960201+ |
| Molecular Weight | 770.144 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2377 |