| SpectraBase Compound ID | 38qFJiDsRdi |
|---|---|
| InChI | InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18-,19+,21+,22-,23+,24+,25-,26-,29-,30+,31-/m0/s1 |
| InChIKey | SBQFQOLBZXKZRP-QXVPSROSSA-N |
| Mol Weight | 520.8 g/mol |
| Molecular Formula | C31H52O6 |
| Exact Mass | 520.376389 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FSrdNS2soOv |
|---|---|
| Name | Agladupol A |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O6 |
| InChI | InChI=1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18-,19+,21+,22-,23+,24+,25-,26-,29-,30+,31-/m0/s1 |
| InChIKey | SBQFQOLBZXKZRP-QXVPSROSSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0702842 |
| Molecular Weight | 520.751 g/mol |
| Optical Rotation | [a]D20 = -35.6 (c = 0.8500, CHCl3) |
| Reported Formula | C31H52O6 |
| 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=C4[C@@]3([C@@](C[C@]2(C1(C)C)[H])(O)[H])C)[H])C)[H])C)[H] |
| SPLASH | splash10-01q9-0119000000-ed18fbc22237eafbfebd |
| Source of Spectrum | G4-70-1534-1 |
| Wiley ID | 1874640 |