| SpectraBase Compound ID | 5bTXgGB2tQx |
|---|---|
| InChI | InChI=1S/C32H42O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h10,12,16-17,20-21,23,27-28H,8-9,11,13-15H2,1-7H3/t17-,20-,21?,23-,27-,28+,31+,32+/m0/s1 |
| InChIKey | OVTKCGJIOHGDAN-UVKOEJPASA-N |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C32H42O8 |
| Exact Mass | 554.287968 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2EgfPuS4Ox |
|---|---|
| Name | 2'S-Methylbutanoylproceranolide |
| Appearance | White, amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H42O8 |
| InChI | InChI=1S/C32H42O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h10,12,16-17,20-21,23,27-28H,8-9,11,13-15H2,1-7H3/t17-,20-,21?,23-,27-,28+,31+,32+/m0/s1 |
| InChIKey | OVTKCGJIOHGDAN-UVKOEJPASA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070229t |
| Molecular Weight | 554.680 g/mol |
| Optical Rotation | [a]D20 = -85 (c = 0.06, MeOH) |
| SMILES | C1C2[C@@]3([C@@](CC(OC)=O)(C(C)(C)[C@](OC([C@](CC)(C)[H])=O)([C@@](CC2=C2CC(=O)O[C@@](c4cocc4)([C@]2(C)C1)[H])(C3=O)[H])[H])[H])C |
| SPLASH | splash10-0a59-9011800000-96193a5aa49c0e655710 |
| Source of Spectrum | G4-70-1347-3 |
| Wiley ID | 1874626 |