| SpectraBase Compound ID | BxOepwkz7uj |
|---|---|
| InChI | InChI=1S/C33H54O7/c1-18(34)39-26-17-24-29(2,3)25(35)13-15-32(24,7)23-12-14-31(6)20(10-11-22(31)33(23,26)8)19-16-21(40-28(19)38-9)27(36)30(4,5)37/h11,19-21,23-28,35-37H,10,12-17H2,1-9H3/t19-,20-,21+,23+,24-,25+,26+,27-,28-,31-,32+,33-/m0/s1 |
| InChIKey | VEGLQFQCUDCVIL-HKUCWEQESA-N |
| Mol Weight | 562.8 g/mol |
| Molecular Formula | C33H54O7 |
| Exact Mass | 562.386954 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CPWTgV1KFjf |
|---|---|
| Name | Agladupol B |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54O7 |
| InChI | InChI=1S/C33H54O7/c1-18(34)39-26-17-24-29(2,3)25(35)13-15-32(24,7)23-12-14-31(6)20(10-11-22(31)33(23,26)8)19-16-21(40-28(19)38-9)27(36)30(4,5)37/h11,19-21,23-28,35-37H,10,12-17H2,1-9H3/t19-,20-,21+,23+,24-,25+,26+,27-,28-,31-,32+,33-/m0/s1 |
| InChIKey | VEGLQFQCUDCVIL-HKUCWEQESA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0702842 |
| Molecular Weight | 562.788 g/mol |
| Optical Rotation | [a]D20 = -28.1 (c = 1.3500, CHCl3) |
| Reported Formula | C33H54O7 |
| 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])(OC(C)=O)[H])C)[H])C)[H])C)[H] |
| SPLASH | splash10-03k9-0219000000-6e2a5a4307df28855e96 |
| Source of Spectrum | G4-70-1534-2 |
| Wiley ID | 1874641 |