| SpectraBase Compound ID | JhuOVZUd19d |
|---|---|
| InChI | InChI=1S/C25H36O6/c1-16(2)13-23(29)31-12-9-21-20(14-18(5)27)24(30)19(15-26)7-10-25(21,6)11-8-22(28)17(3)4/h7,9,12-13,20-22,26,28H,3,8,10-11,14-15H2,1-2,4-6H3/b12-9+/t20-,21+,22?,25-/m1/s1 |
| InChIKey | HOUIWALHPPJDOP-CZRULFJLSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C25H36O6 |
| Exact Mass | 432.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1sTZxdy8DNs |
|---|---|
| Name | 5-epi-Vibsanin G |
| Appearance | Colorless amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O6 |
| InChI | InChI=1S/C25H36O6/c1-16(2)13-23(29)31-12-9-21-20(14-18(5)27)24(30)19(15-26)7-10-25(21,6)11-8-22(28)17(3)4/h7,9,12-13,20-22,26,28H,3,8,10-11,14-15H2,1-2,4-6H3/b12-9+/t20-,21+,22?,25-/m1/s1 |
| InChIKey | HOUIWALHPPJDOP-CZRULFJLSA-N |
| Instrument Name | VGQuattro 5022 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030173c |
| Molecular Weight | 432.557 g/mol |
| Optical Rotation | [a]D26 = +5.0 (c = 3.4, CHCl3) |
| Reported Formula | C25H36O6 |
| SMILES | OCC=1C([C@@]([C@@]([C@@](CCC(C(=C)C)O)(CC1)C)(\C=C\OC(C=C(C)C)=O)[H])(CC(C)=O)[H])=O |
| SPLASH | splash10-001i-9000000000-fde7cc609f7a397020ba |
| Source of Spectrum | G4-67-76-1 |
| Wiley ID | 1881511 |