| SpectraBase Compound ID | KDk8FuwDDoA |
|---|---|
| InChI | InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1 |
| InChIKey | ISZXEMUWHQLLTC-LSIVYLFASA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C25H42O6 |
| Exact Mass | 438.298139 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Ae5kOeLtvh |
|---|---|
| Name | Herboxidiene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O6 |
| InChI | InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1 |
| InChIKey | ISZXEMUWHQLLTC-LSIVYLFASA-N |
| Molecular Weight | 438.605 g/mol |
| SMILES | O[C@@]([C@@]([C@]([C@]1(O[C@@]1(C[C@@](\C=C\C=C\([C@]1(O[C@@](CC(=O)O)(CC[C@@]1(C)[H])[H])[H])C)(C)[H])C)[H])(C)[H])(OC)[H])(C)[H] |
| SPLASH | splash10-0ftb-9630000000-1a0a05cdc18ff3984a12 |
| Source of Spectrum | KC-0-968-1 |
| Synonyms | 2-[(2R,5S,6S)-6-[(1E,3E,5S)-6-[(2R,3R)-3-[(1R,2R,3R)-3-hydroxy-2-methoxy-1-methyl-butyl]-2-methyl-oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]acetic acid 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-oxidanyl-pentan-2-yl]-2-methyl-oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-5-methyl-oxan-2-yl]ethanoic acid 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyl-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-5-methyl-2-oxanyl]acetic acid 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid |
| Wiley ID | 827798 |