| SpectraBase Compound ID | CYW2cSnIosU |
|---|---|
| InChI | InChI=1S/C48H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-46(50)53-41-44(42-54-48(52)45(49)40-43-36-32-31-33-37-43)55-47(51)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,31-33,36-37,40,44H,3-16,21-30,34-35,38-39,41-42,49H2,1-2H3/b19-17+,20-18+,45-40-/t44-/m1/s1 |
| InChIKey | PBTGPQHPZXESGE-BZGWPMHZSA-N |
| Mol Weight | 766.2 g/mol |
| Molecular Formula | C48H79NO6 |
| Exact Mass | 765.590739 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G3WmuKkS9nY |
|---|---|
| Name | Dorsamin-A765 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H79NO6 |
| InChI | InChI=1S/C48H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-46(50)53-41-44(42-54-48(52)45(49)40-43-36-32-31-33-37-43)55-47(51)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,31-33,36-37,40,44H,3-16,21-30,34-35,38-39,41-42,49H2,1-2H3/b19-17+,20-18+,45-40-/t44-/m1/s1 |
| InChIKey | PBTGPQHPZXESGE-BZGWPMHZSA-N |
| Instrument Name | Shimadzu GCMS-QP2010 Plus |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np300713c |
| Molecular Weight | 766.161 g/mol |
| Optical Rotation | [a]25D = +61 (c = 0.2, CHCl3) |
| Reported Formula | C48H80NO6 |
| SMILES | N\C(=C/c1ccccc1)C(OC[C@@](COC(CCCCCCC\C=C\CCCCCCCC)=O)(OC(=O)CCCCCCC\C=C\CCCCCCCC)[H])=O |
| SPLASH | splash10-0zfr-7010009000-e0e93288d5293a876c7d |
| Source of Spectrum | G4-76-556-3 |
| Wiley ID | 1854898 |