| SpectraBase Compound ID | FwPeJJEU1X2 |
|---|---|
| InChI | InChI=1S/C31H39NO6S/c1-22-9-7-5-6-8-10-23(2)17-29(33)37-27-18-26(14-11-22)38-31(19-27,36-4)28-21-39-30(34)32(28)20-24-12-15-25(35-3)16-13-24/h5-6,12-13,15-17,22,26-28H,8,10-11,14,18-21H2,1-4H3/b6-5+,23-17-/t22-,26-,27?,28+,31?/m1/s1 |
| InChIKey | MPNCXHGVIODNON-OGEGYGSNSA-N |
| Mol Weight | 553.7 g/mol |
| Molecular Formula | C31H39NO6S |
| Exact Mass | 553.249809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6HcGxD3ZoFL |
|---|---|
| Name | N-p-Methoxybenzyl-17-methoxy-8-yn-latrunculin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H39NO6S |
| InChI | InChI=1S/C31H39NO6S/c1-22-9-7-5-6-8-10-23(2)17-29(33)37-27-18-26(14-11-22)38-31(19-27,36-4)28-21-39-30(34)32(28)20-24-12-15-25(35-3)16-13-24/h5-6,12-13,15-17,22,26-28H,8,10-11,14,18-21H2,1-4H3/b6-5+,23-17-/t22-,26-,27?,28+,31?/m1/s1 |
| InChIKey | MPNCXHGVIODNON-OGEGYGSNSA-N |
| Molecular Weight | 553.714 g/mol |
| SMILES | C1([C@]2(N(C(=O)SC2)Cc2ccc(cc2)OC)[H])(O[C@@]2(CC[C@@](C#C\C=C\CC\C(=C/C(OC(C1)C2)=O)C)(C)[H])[H])OC |
| SPLASH | splash10-0uk9-0901000000-f5303a288124521b37ab |
| Source of Spectrum | QE-13-130-58 |
| Wiley ID | 1662079 |