| SpectraBase Compound ID | 16gvx9VkHQY |
|---|---|
| InChI | InChI=1S/C28H35ClO12/c1-11-18(29)22-28(12(2)25(34)40-22)24(39-16(6)33)21-26(7,17(36-13(3)30)8-9-27(21)10-35-27)23(38-15(5)32)20(19(11)41-28)37-14(4)31/h12,17-24H,1,8-10H2,2-7H3/t12-,17-,18-,19+,20+,21+,22-,23-,24-,26-,27-,28-/m0/s1 |
| InChIKey | VPXKDKFGKRSWEO-GKPKSCKFSA-N |
| Mol Weight | 599.0 g/mol |
| Molecular Formula | C28H35ClO12 |
| Exact Mass | 598.181704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4RO8Xb3lQ0a |
|---|---|
| Name | Praelolide |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H35ClO12 |
| InChI | InChI=1S/C28H35ClO12/c1-11-18(29)22-28(12(2)25(34)40-22)24(39-16(6)33)21-26(7,17(36-13(3)30)8-9-27(21)10-35-27)23(38-15(5)32)20(19(11)41-28)37-14(4)31/h12,17-24H,1,8-10H2,2-7H3/t12-,17-,18-,19+,20+,21+,22-,23-,24-,26-,27-,28-/m0/s1 |
| InChIKey | VPXKDKFGKRSWEO-GKPKSCKFSA-N |
| Molecular Weight | 599.029 g/mol |
| SMILES | [C@@]123[C@@](OC([C@@]3(C)[H])=O)([C@@](Cl)(C([C@@](O1)([C@]([C@](OC(=O)C)([C@@]1([C@@]([C@@]2(OC(=O)C)[H])([C@]2(OC2)CC[C@@]1(OC(=O)C)[H])[H])C)[H])(OC(=O)C)[H])[H])=C)[H])[H] |
| SPLASH | splash10-0006-0090020000-426f12263839ef09dd6e |
| Source of Spectrum | G4-61-1122-2 |
| Wiley ID | 1607453 |