| SpectraBase Compound ID | CfWrGsRzf1i |
|---|---|
| InChI | InChI=1S/C21H33BrO2/c1-15(8-7-12-19(3,4)24-6)17-11-13-20(5)18(22)10-9-16(2)21(20,23)14-17/h7-8,12,17-18,23H,2,9-11,13-14H2,1,3-6H3/b12-7+,15-8+/t17-,18-,20+,21-/m1/s1 |
| InChIKey | ABUOJYVVQSTENN-UVJLBPFISA-N |
| Mol Weight | 397.4 g/mol |
| Molecular Formula | C21H33BrO2 |
| Exact Mass | 396.166393 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6QwA8ovCJXR |
|---|---|
| Name | Aplysiadiol - mono methyl ether |
| Alternate Name(s) | (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-methoxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol (3R,4aR,8R,8aR)-8-bromo-3-[(2E,4E)-6-methoxy-6-methylhepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol (3R,4aR,8R,8aR)-8-bromanyl-3-[(2E,4E)-6-methoxy-6-methyl-hepta-2,4-dien-2-yl]-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33BrO2 |
| InChI | InChI=1S/C21H33BrO2/c1-15(8-7-12-19(3,4)24-6)17-11-13-20(5)18(22)10-9-16(2)21(20,23)14-17/h7-8,12,17-18,23H,2,9-11,13-14H2,1,3-6H3/b12-7+,15-8+/t17-,18-,20+,21-/m1/s1 |
| InChIKey | ABUOJYVVQSTENN-UVJLBPFISA-N |
| Molecular Weight | 397.397 g/mol |
| SMILES | O[C@@]12[C@@](CC[C@](C2)(\C(=C\C=C\C(OC)(C)C)C)[H])([C@](Br)(CCC1=C)[H])C |
| SPLASH | splash10-0aos-0955000000-f8875aa765a6a0485cdf |
| Source of Spectrum | X2-53-1622-2 |
| Wiley ID | 1603800 |