| SpectraBase Compound ID | 6RS5SL8p07J |
|---|---|
| InChI | InChI=1S/C37H67NO4/c1-4-6-7-8-9-10-11-12-13-17-20-23-26-30-35(40)34(32-39)38-37(42)36(41)31-27-24-21-18-15-14-16-19-22-25-29-33(3)28-5-2/h11-13,17,26-27,30-31,33-36,39-41H,4-10,14-16,18-25,28-29,32H2,1-3H3,(H,38,42)/b12-11+,17-13+,30-26+,31-27+/t33?,34?,35-,36-/m0/s1 |
| InChIKey | LPPMUEMMIPAVTE-ZHZMPXEJSA-N |
| Mol Weight | 589.9 g/mol |
| Molecular Formula | C37H67NO4 |
| Exact Mass | 589.50701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRKjNSltEYL |
|---|---|
| Name | 2'-HYDROXY-15'-METHYL-3'-OCTADECENOYL-8,9,10,11-TETRADEHYDROSPHINGOSINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H67NO4 |
| InChI | InChI=1S/C37H67NO4/c1-4-6-7-8-9-10-11-12-13-17-20-23-26-30-35(40)34(32-39)38-37(42)36(41)31-27-24-21-18-15-14-16-19-22-25-29-33(3)28-5-2/h11-13,17,26-27,30-31,33-36,39-41H,4-10,14-16,18-25,28-29,32H2,1-3H3,(H,38,42)/b12-11+,17-13+,30-26+,31-27+/t33?,34?,35-,36-/m0/s1 |
| InChIKey | LPPMUEMMIPAVTE-ZHZMPXEJSA-N |
| Literature Reference Author | I.TANAKA,S.MATSUOKA,M.MURATA,K.TACHIBANA |
| Literature Reference Citation | J.NAT.PROD.,61,685(1998) |
| Literature Reference DOI | 10.1021/np970554o |
| Molecular Weight | 589.943 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ96 |