| SpectraBase Compound ID | 23X7RrnRL98 |
|---|---|
| InChI | InChI=1S/C20H33BrO3/c1-12-11-18(2,13-5-7-19(3,23)16(21)9-13)15-10-17(22)20(4,24)8-6-14(12)15/h13-17,22-24H,1,5-11H2,2-4H3/t13-,14-,15-,16-,17+,18+,19+,20+/m1/s1 |
| InChIKey | JPCOLXANIJAXTB-IHRHECOVSA-N |
| Mol Weight | 401.4 g/mol |
| Molecular Formula | C20H33BrO3 |
| Exact Mass | 400.161308 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lq1hpk9HbmU |
|---|---|
| Name | (2R*,3S*,6R*,7S*,8R*,10S*,11S*,14S*)-Prevezol E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H33BrO3 |
| InChI | InChI=1S/C20H33BrO3/c1-12-11-18(2,13-5-7-19(3,23)16(21)9-13)15-10-17(22)20(4,24)8-6-14(12)15/h13-17,22-24H,1,5-11H2,2-4H3/t13-,14-,15-,16-,17+,18+,19+,20+/m1/s1 |
| InChIKey | JPCOLXANIJAXTB-IHRHECOVSA-N |
| Molecular Weight | 401.385 g/mol |
| SMILES | O[C@@]1([C@](CC[C@]2([C@]([C@]([C@@]3(CC[C@@]([C@@](C3)(Br)[H])(O)C)[H])(CC2=C)C)(C1)[H])[H])(O)C)[H] |
| SPLASH | splash10-0006-6913000000-fa2a706ad3fabc610ced |
| Source of Spectrum | F-68-7673-4 |
| Synonyms | (3S,3aR,5S,6S,8aS)-3-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]-3,6-dimethyl-1-methylene-3a,4,5,7,8,8a-hexahydro-2H-azulene-5,6-diol (3S,3aR,5S,6S,8aS)-3-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]-3,6-dimethyl-1-methylidene-3a,4,5,7,8,8a-hexahydro-2H-azulene-5,6-diol (3S,3aR,5S,6S,8aS)-3-[(1R,3R,4S)-3-bromanyl-4-methyl-4-oxidanyl-cyclohexyl]-3,6-dimethyl-1-methylidene-3a,4,5,7,8,8a-hexahydro-2H-azulene-5,6-diol |
| Wiley ID | 1573453 |