| SpectraBase Compound ID | EJaWXTFWoJZ |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)18-10-13-27(5)17-30-20(9-8-19(27)28(18,6)14-11-22(25)31)29(7)15-12-23(32)26(3,4)21(29)16-24(30)33-30/h18-21,23-24,32H,8-17H2,1-7H3/t18-,19-,20+,21-,23+,24+,27-,28-,29+,30-/m0/s1 |
| InChIKey | WJQPKWTTWYJTHP-PHCGSEMWSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8A8tcjBq3WO |
|---|---|
| Name | 14.beta.,15.beta.-Epoxy-21.beta.-hydroxyserratan-3-one |
| Appearance | needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)18-10-13-27(5)17-30-20(9-8-19(27)28(18,6)14-11-22(25)31)29(7)15-12-23(32)26(3,4)21(29)16-24(30)33-30/h18-21,23-24,32H,8-17H2,1-7H3/t18-,19-,20+,21-,23+,24+,27-,28-,29+,30-/m0/s1 |
| InChIKey | WJQPKWTTWYJTHP-PHCGSEMWSA-N |
| Instrument Name | Hitachi 4000H double-focusing |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np000630e |
| Molecular Weight | 456.711 g/mol |
| Optical Rotation | [a]D = -14.5 (c = 0.52) |
| Reported Formula | C30H48O3 |
| SMILES | O[C@]1(C([C@]2([C@@]([C@]3(CC[C@]4([C@@](CC[C@@]5([C@@]4(CCC(C5(C)C)=O)C)[H])(C[C@@]33[C@@](C2)(O3)[H])C)[H])[H])(CC1)C)[H])(C)C)[H] |
| SPLASH | splash10-0ab9-0590500000-0ef086b19eef5c07fd58 |
| Source of Spectrum | G4-64-1046-1 |
| Wiley ID | 1883286 |