| SpectraBase Spectrum ID |
2zgApjBsiH2 |
| Name |
2,5-Hexanediol, 2-(octahydro-6,8a-dimethylpyrano[3,2-b]pyran-2-yl)-, 5-benzoate, [2S-[2.alpha.(2S*,5R*),4a.alpha.,6.beta.,8a.beta.]]- |
| Alternate Name(s) |
Pyrano[3,2-b]pyran, 2,5-hexanediol deriv.
(2S,4aR,6S,8aS)-2-[(1R,4S)-5-benzoyloxy-1-hydroxy-1-methylpentyl]octahydro-6,8a-dimethylpyrano[3,2-b]pyran
(5R)-5-[(2S,4aR,6S,8aS)-6,8a-dimethyl-octahydropyrano[3,2-b]pyran-2-yl]-5-hydroxyhexyl benzoate |
| CAS Registry Number |
116297-54-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-17-13-15-23(3)20(27-17)12-11-19(28-23)22(2,25)14-7-8-16-26-21(24)18-9-5-4-6-10-18/h4-6,9-10,17,19-20,25H,7-8,11-16H2,1-3H3/t17-,19-,20+,22+,23-/m0/s1 |
| InChIKey |
KOPSOIXFNVYLDI-OBFXIHLUSA-N |
| Molecular Weight |
390.520 g/mol |
| SMILES |
O[C@@]([C@]1(O[C@@]2([C@](O[C@](CC2)(C)[H])(CC1)[H])C)[H])(CCCCOC(=O)c1ccccc1)C |
| SPLASH |
splash10-0002-9400000000-154d38258fc53aa60fcb |
| Source of Spectrum |
J-55-5097-23 |
| Wiley ID |
1364984 |
![2,5-Hexanediol, 2-(octahydro-6,8a-dimethylpyrano[3,2-b]pyran-2-yl)-, 5-benzoate, [2S-[2.alpha.(2S*,5R*),4a.alpha.,6.beta.,8a.beta.]]-](/api/spectrum/2zgApjBsiH2/structure.png?h=300&w=458 "2,5-Hexanediol, 2-(octahydro-6,8a-dimethylpyrano[3,2-b]pyran-2-yl)-, 5-benzoate, [2S-[2.alpha.(2S*,5R*),4a.alpha.,6.beta.,8a.beta.]]-")
