| SpectraBase Spectrum ID |
DfQzv8bp63L |
| Name |
4,7-Azulenediol, 5-(4-bromo-5-hydroxy-1,5-dimethylhexyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, [3aR-[3a.alpha.,4.alpha.,5.alpha.(1S*,4R*),7.alpha.,8a.beta.]]- |
| Alternate Name(s) |
4,7-Azulenediol, 5-(4-bromo-5-hydroxy-1,5-dimethylhexyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, [3aR-[3a.alpha.,4.alpha.,5.alpha.(1S*,4S*),7.alpha.,8a.beta.]]-
(3aS,5R,7S,8S,8aR)-7-[(1S)-4-bromo-5-hydroxy-1,5-dimethylhexyl]-8-hydroxy-1-methyl-4-methylene-3,3a,4,5,6,7,8,8a-octahydro-5-azulenyl acetate |
| CAS Registry Number |
115890-61-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H35BrO4 |
| InChI |
InChI=1S/C22H35BrO4/c1-12(8-10-19(23)22(5,6)26)17-11-18(27-15(4)24)14(3)16-9-7-13(2)20(16)21(17)25/h7,12,16-21,25-26H,3,8-11H2,1-2,4-6H3/t12-,16+,17-,18+,19?,20-,21-/m0/s1 |
| InChIKey |
RSVPZIJVGXVHCK-FSRIUXLHSA-N |
| Molecular Weight |
443.422 g/mol |
| SMILES |
O[C@]1([C@]([C@](CCC(C(O)(C)C)Br)(C)[H])(C[C@](C([C@@]2([C@@]1(C(=CC2)C)[H])[H])=C)(OC(=O)C)[H])[H])[H] |
| SPLASH |
splash10-0a4i-0911000000-26bf91342f41b8f0e40e |
| Source of Spectrum |
J-53-4799-12 |
| Wiley ID |
1385251 |
![4,7-Azulenediol, 5-(4-bromo-5-hydroxy-1,5-dimethylhexyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, [3aR-[3a.alpha.,4.alpha.,5.alpha.(1S*,4R*),7.alpha.,8a.beta.]]-](/api/spectrum/DfQzv8bp63L/structure.png?h=300&w=458 "4,7-Azulenediol, 5-(4-bromo-5-hydroxy-1,5-dimethylhexyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, [3aR-[3a.alpha.,4.alpha.,5.alpha.(1S*,4R*),7.alpha.,8a.beta.]]-")
