| SpectraBase Spectrum ID |
4PVUuvcTwW |
| Name |
(3R,4S,5S)-3-[(2R)-1-benzylpyrrolidin-2-yl]-4-hydroxy-5-(phenylthio)oxepan-2-one |
| Alternate Name(s) |
(3R,4S,5S)-4-hydroxy-3-[(2R)-1-(phenylmethyl)-2-pyrrolidinyl]-5-(phenylthio)-2-oxepanone
(3R,4S,5S)-4-oxidanyl-3-[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]-5-phenylsulfanyl-oxepan-2-one
(3R,4S,5S)-3-[(2R)-1-benzylpyrrolidin-2-yl]-4-hydroxy-5-phenylsulfanyloxepan-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H27NO3S |
| InChI |
InChI=1S/C23H27NO3S/c25-22-20(28-18-10-5-2-6-11-18)13-15-27-23(26)21(22)19-12-7-14-24(19)16-17-8-3-1-4-9-17/h1-6,8-11,19-22,25H,7,12-16H2/t19-,20+,21-,22-/m1/s1 |
| InChIKey |
QULBJJFIBRBOMK-CIAFKFPVSA-N |
| Molecular Weight |
397.533 g/mol |
| SMILES |
O[C@]1([C@@]([C@@]2(N(Cc3ccccc3)CCC2)[H])(C(OCC[C@@]1(Sc1ccccc1)[H])=O)[H])[H] |
| SPLASH |
splash10-03dl-8900000000-e6c277d7009df7bc257d |
| Source of Spectrum |
K1-2004-4226-38 |
| Wiley ID |
1561682 |
![(3R,4S,5S)-3-[(2R)-1-benzylpyrrolidin-2-yl]-4-hydroxy-5-(phenylthio)oxepan-2-one](/api/spectrum/4PVUuvcTwW/structure.png?h=300&w=458 "(3R,4S,5S)-3-[(2R)-1-benzylpyrrolidin-2-yl]-4-hydroxy-5-(phenylthio)oxepan-2-one")
