SpectraBase Compound ID | J7Hhysj0bs0 |
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InChI | InChI=1S/C22H40O4/c1-7-11-12-18(8-2)13-17(5)15-22(25,10-4)16-19(9-3)20(23)14-21(24)26-6/h11-12,15,18-20,23,25H,7-10,13-14,16H2,1-6H3/b12-11+,17-15+/t18?,19-,20-,22+/m1/s1 |
InChIKey | JAGYGWPYZGEFSW-YNTZVALSSA-N |
Mol Weight | 368.6 g/mol |
Molecular Formula | C22H40O4 |
Exact Mass | 368.29266 g/mol |
SpectraBase Spectrum ID | 4FHNxtoOYzq |
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Name | Seco-plakortide H methyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 368.292659764 u |
Formula | C22H40O4 |
InChI | InChI=1S/C22H40O4/c1-7-11-12-18(8-2)13-17(5)15-22(25,10-4)16-19(9-3)20(23)14-21(24)26-6/h11-12,15,18-20,23,25H,7-10,13-14,16H2,1-6H3/b12-11+,17-15+/t18?,19-,20-,22+/m1/s1 |
InChIKey | JAGYGWPYZGEFSW-YNTZVALSSA-N |
Molecular Weight | 368.558 g/mol |
SMILES | C(C(=O)OC)[C@]([C@@](C[C@](\C=C\(CC(\C=C\CC)CC)C)(O)CC)(CC)[H])(O)[H] |