| SpectraBase Spectrum ID |
KuUcHgFBynW |
| Name |
(2R*,4aR*,6R*,9aS*)-2-(Phenylthio)-6-(hydroxymethyl)pyrano[2,3-b]oxepane |
| Alternate Name(s) |
(2R*,4aR*,6R*,9aS*)-2-Phenylsulfanyl-octahydro-1,5-dioxa-benzocyclohepten-6-yl)-methanol
[(2R,4aR,6R,9aS)-2-phenylsulfanyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-6-yl]methanol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O3S |
| InChI |
InChI=1S/C16H22O3S/c17-11-12-5-4-8-14-15(18-12)9-10-16(19-14)20-13-6-2-1-3-7-13/h1-3,6-7,12,14-17H,4-5,8-11H2/t12-,14+,15-,16-/m1/s1 |
| InChIKey |
RNHVZYCZACYIGO-SLBVQIDZSA-N |
| Molecular Weight |
294.409 g/mol |
| SMILES |
OC[C@@]1(O[C@]2([C@@](O[C@](Sc3ccccc3)(CC2)[H])(CCC1)[H])[H])[H] |
| SPLASH |
splash10-0a4r-8930000000-55a57ab6d293604ddf47 |
| Source of Spectrum |
J-59-2864-41 |
| Wiley ID |
1297111 |
![(2R*,4aR*,6R*,9aS*)-2-(Phenylthio)-6-(hydroxymethyl)pyrano[2,3-b]oxepane](/api/spectrum/KuUcHgFBynW/structure.png?h=300&w=458 "(2R*,4aR*,6R*,9aS*)-2-(Phenylthio)-6-(hydroxymethyl)pyrano[2,3-b]oxepane")
