| SpectraBase Compound ID | ALRrmW9dgeC |
|---|---|
| InChI | InChI=1S/C33H59NO8/c1-27(36)40-29-21-23-33(41-30(32(29)42-33)19-15-11-12-16-20-31(37)38)22-17-13-9-7-5-3-2-4-6-8-10-14-18-24-39-26-28(34)25-35/h16,20,28-30,32,35H,2-15,17-19,21-26,34H2,1H3,(H,37,38)/b20-16+/t28?,29-,30-,32-,33+/m1/s1 |
| InChIKey | QASNMHXRMBUJBM-BLKNMDQNSA-N |
| Mol Weight | 597.8 g/mol |
| Molecular Formula | C33H59NO8 |
| Exact Mass | 597.424068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JEgSHtrVVC |
|---|---|
| Name | DIDEMNISERINOLIPID-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H59NO8 |
| InChI | InChI=1S/C33H59NO8/c1-27(36)40-29-21-23-33(41-30(32(29)42-33)19-15-11-12-16-20-31(37)38)22-17-13-9-7-5-3-2-4-6-8-10-14-18-24-39-26-28(34)25-35/h16,20,28-30,32,35H,2-15,17-19,21-26,34H2,1H3,(H,37,38)/b20-16+/t28?,29-,30-,32-,33+/m1/s1 |
| InChIKey | QASNMHXRMBUJBM-BLKNMDQNSA-N |
| Literature Reference Author | N.GONZALES,J.RODRIGUEZ,C.JIMENEZ |
| Literature Reference Citation | J.ORG.CHEM.,64,5705(1999) |
| Literature Reference DOI | 10.1021/jo9903914 |
| Molecular Weight | 597.833 g/mol |
| Sample ID | 40162 |
| Solvent | CDCl3 |