| SpectraBase Spectrum ID |
Lgj9M3OPDJZ |
| Name |
2,5-Hexanediol, 2-(octahydro-6,8a-dimethylpyrano[3,2-b]pyran-2-yl)-, 5-benzoate, [2R-[2.alpha.(2S*,5S*),4a.beta.,6.alpha.,8a.alpha.]]- |
| CAS Registry Number |
116216-72-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-16-13-15-23(4)20(26-16)11-10-19(28-23)22(3,25)14-12-17(2)27-21(24)18-8-6-5-7-9-18/h5-9,16-17,19-20,25H,10-15H2,1-4H3/t16-,17?,19+,20+,22-,23-/m0/s1 |
| InChIKey |
MLDBNKRRTCGRNW-LUFDCFGSSA-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])(CCC(OC(=O)c1ccccc1)C)C |
| SPLASH |
splash10-0002-9000000000-03d237628adf2c3874e1 |
| Source of Spectrum |
J-55-5097-24 |
| Synonyms |
Pyrano[3,2-b]pyran, 2,5-hexanediol deriv.
(2R,4aR,6S,8aS)-2-[(1S,5S)-4-(benzoyloxy)-1-hydroxy-1-methylpentyl]octahydro-6,8a-dimethylpyrano[3,2-b]pyran
(5S)-5-[(2R,4aR,6S,8aS)-6,8a-dimethyl-octahydropyrano[3,2-b]pyran-2-yl]-5-hydroxyhexan-2-yl benzoate |
| Wiley ID |
1364985 |
![2,5-Hexanediol, 2-(octahydro-6,8a-dimethylpyrano[3,2-b]pyran-2-yl)-, 5-benzoate, [2R-[2.alpha.(2S*,5S*),4a.beta.,6.alpha.,8a.alpha.]]-](/api/spectrum/Lgj9M3OPDJZ/structure.png?h=300&w=458 "2,5-Hexanediol, 2-(octahydro-6,8a-dimethylpyrano[3,2-b]pyran-2-yl)-, 5-benzoate, [2R-[2.alpha.(2S*,5S*),4a.beta.,6.alpha.,8a.alpha.]]-")
