| SpectraBase Compound ID | 22HIZBzLfxH |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-17(2)13-19(31)14-18(3)20-9-10-27(5)21-7-8-22-28(6,25(34)35)23(32)15-24(33)30(22)16-29(21,30)12-11-26(20,27)4/h17-18,20-24,32-33H,7-16H2,1-6H3,(H,34,35)/t18-,20-,21+,22+,23+,24+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | GXGUELRDTGHOBG-SESPQYOESA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CUj91SQqDsm |
|---|---|
| Name | Carinatin A |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-17(2)13-19(31)14-18(3)20-9-10-27(5)21-7-8-22-28(6,25(34)35)23(32)15-24(33)30(22)16-29(21,30)12-11-26(20,27)4/h17-18,20-24,32-33H,7-16H2,1-6H3,(H,34,35)/t18-,20-,21+,22+,23+,24+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | GXGUELRDTGHOBG-SESPQYOESA-N |
| Instrument Name | Thermo Finnigan Polaris Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np3006887 |
| Molecular Weight | 488.709 g/mol |
| Optical Rotation | [a]D24 = +52.4 (c = 0.86, MeOH) |
| Reported Formula | C30H48O5 |
| SMILES | O[C@]1(C[C@@]([C@]23[C@]([C@]1(C)C(=O)O)(CC[C@@]1([C@]3(CC[C@]3([C@]1(CC[C@@]3([C@](C)(CC(CC(C)C)=O)[H])[H])C)C)C2)[H])[H])(O)[H])[H] |
| SPLASH | splash10-0002-2902000000-7be16f6a4ee738555c3c |
| Source of Spectrum | G4-76-536-1 |
| Wiley ID | 1854887 |