| SpectraBase Spectrum ID |
5bmBSKcs57f |
| Name |
(2,6-dimethylphenyl) (2R,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-3-oxidanyl-4-phenylsulfanyl-hexanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H32O5S |
| InChI |
InChI=1S/C29H32O5S/c1-19-9-8-10-20(2)26(19)34-28(31)21(3)27(30)29(4,35-23-11-6-5-7-12-23)16-15-22-13-14-24-25(17-22)33-18-32-24/h5-14,17,21,27,30H,15-16,18H2,1-4H3/t21-,27+,29+/m1/s1 |
| InChIKey |
HEPZJWYUBUNTJC-LJQNWDROSA-N |
| Molecular Weight |
492.630 g/mol |
| SMILES |
O[C@]([C@@](Sc1ccccc1)(CCc1cc2OCOc2cc1)C)([C@](C(Oc1c(cccc1C)C)=O)(C)[H])[H] |
| SPLASH |
splash10-0a4i-0090000000-5e49ad9a9ae17803e8f5 |
| Source of Spectrum |
KC-0-542-40 |
| Synonyms |
(2,6-dimethylphenyl) (2R,3S,4S)-6-(1,3-benzodioxol-5-yl)-3-hydroxy-2,4-dimethyl-4-phenylsulfanyl-hexanoate
(2R,3S,4S)-6-(1,3-benzodioxol-5-yl)-3-hydroxy-2,4-dimethyl-4-(phenylthio)hexanoic acid (2,6-dimethylphenyl) ester |
| Wiley ID |
830018 |
