| SpectraBase Compound ID | 9e9UukyjauP |
|---|---|
| InChI | InChI=1S/C46H77NO6/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-45(49)53-42(40-52-46(50)43(47)38-41-34-30-29-31-35-41)39-51-44(48)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29-31,34-35,38,42H,3-16,19-28,32-33,36-37,39-40,47H2,1-2H3/b18-17+,43-38-/t42-/m1/s1 |
| InChIKey | ZZLSGRHAZBJPTB-YLBMXLNKSA-N |
| Mol Weight | 740.1 g/mol |
| Molecular Formula | C46H77NO6 |
| Exact Mass | 739.575089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9qHSjyUAXHs |
|---|---|
| Name | Dorsamin-A739 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H77NO6 |
| InChI | InChI=1S/C46H77NO6/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-45(49)53-42(40-52-46(50)43(47)38-41-34-30-29-31-35-41)39-51-44(48)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29-31,34-35,38,42H,3-16,19-28,32-33,36-37,39-40,47H2,1-2H3/b18-17+,43-38-/t42-/m1/s1 |
| InChIKey | ZZLSGRHAZBJPTB-YLBMXLNKSA-N |
| Instrument Name | Shimadzu GCMS-QP2010 Plus |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np300713c |
| Molecular Weight | 740.123 g/mol |
| Optical Rotation | [a]25D = +38 (c = 0.3, CHCl3) |
| Reported Formula | C46H78NO6 |
| SMILES | N\C(=C/c1ccccc1)C(OC[C@@](COC(CCCCCCCCCCCCCCC)=O)(OC(=O)CCCCCCC\C=C\CCCCCCCC)[H])=O |
| SPLASH | splash10-056r-5010090000-1b4a89edebe5eef3ba80 |
| Source of Spectrum | G4-76-557-4 |
| Wiley ID | 1854899 |