| SpectraBase Compound ID | D1XPAevc29n |
|---|---|
| InChI | InChI=1S/C22H26O6/c1-11(2)16-8-7-15-10-18(28-22(15)26)19(12(3)4)17(24)9-13(5)20(25)21(16)27-14(6)23/h9-10,16,18-19,21H,1,3,7-8H2,2,4-6H3/b13-9-/t16-,18+,19-,21-/m0/s1 |
| InChIKey | INCMLVABIJDPHM-CLBOVIMVSA-N |
| Mol Weight | 386.44 g/mol |
| Molecular Formula | C22H26O6 |
| Exact Mass | 386.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HChwZeYRuBT |
|---|---|
| Name | Kallolide H |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O6 |
| InChI | InChI=1S/C22H26O6/c1-11(2)16-8-7-15-10-18(28-22(15)26)19(12(3)4)17(24)9-13(5)20(25)21(16)27-14(6)23/h9-10,16,18-19,21H,1,3,7-8H2,2,4-6H3/b13-9-/t16-,18+,19-,21-/m0/s1 |
| InChIKey | INCMLVABIJDPHM-CLBOVIMVSA-N |
| Molecular Weight | 386.444 g/mol |
| SMILES | [C@@]1(C(\C(=C/C([C@](C(=C)C)([C@]2(C=C(C(O2)=O)CC[C@]1(C(=C)C)[H])[H])[H])=O)C)=O)(OC(=O)C)[H] |
| SPLASH | splash10-0udi-0900000000-64f74b1854b0f669576a |
| Source of Spectrum | F-62-7005-7 |
| Synonyms | Acetic acid [(1R,2R,4Z,7S,8S)-5-methyl-2,8-bis(1-methylethenyl)-3,6,12-trioxo-13-oxabicyclo[9.2.1]tetradeca-4,11(14)-dien-7-yl] ester [(1R,2R,4Z,7S,8S)-5-methyl-3,6,12-trioxo-2,8-bis(prop-1-en-2-yl)-13-oxabicyclo[9.2.1]tetradeca-4,11(14)-dien-7-yl] acetate [(1R,2R,4Z,7S,8S)-2,8-diisopropenyl-5-methyl-3,6,12-trioxo-13-oxabicyclo[9.2.1]tetradeca-4,11(14)-dien-7-yl] acetate [(1R,2R,4Z,7S,8S)-5-methyl-3,6,12-tris(oxidanylidene)-2,8-bis(prop-1-en-2-yl)-13-oxabicyclo[9.2.1]tetradeca-4,11(14)-dien-7-yl] ethanoate |
| Wiley ID | 1639814 |