| SpectraBase Compound ID | 6CXV09g7LhU |
|---|---|
| InChI | InChI=1S/C31H52O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-26,32-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,24+,25-,26+,29+,30-,31+/m0/s1 |
| InChIKey | PNEVHPUMSSFAQE-YGAWDCGASA-N |
| Mol Weight | 504.8 g/mol |
| Molecular Formula | C31H52O5 |
| Exact Mass | 504.381475 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I0ZyCAXovzK |
|---|---|
| Name | Agladupol E |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O5 |
| InChI | InChI=1S/C31H52O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-26,32-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,24+,25-,26+,29+,30-,31+/m0/s1 |
| InChIKey | PNEVHPUMSSFAQE-YGAWDCGASA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np0702842 |
| Molecular Weight | 504.752 g/mol |
| Optical Rotation | [a]D20 = -46.0 (c = 0.1400, CHCl3) |
| Reported Formula | C31H52O5 |
| SMILES | O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@]5([C@@](O[C@@]([C@@](C(C)(C)O)(O)[H])(C5)[H])(OC)[H])[H])(CC[C@@]4(C3=CC[C@]2(C1(C)C)[H])C)[H])C)[H])C)[H] |
| SPLASH | splash10-066s-3955500000-4edd33bbc3052264e896 |
| Source of Spectrum | G4-70-SM38-5 |
| Wiley ID | 1874643 |