| SpectraBase Spectrum ID |
1vj7v2qmTx6 |
| Name |
(+)-(2S,3S)-3-acetyloxy-5-(2-acetyoxyethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.124608633 u |
| Formula |
C22H23NO6S |
| InChI |
InChI=1S/C22H23NO6S/c1-14(24)28-13-12-23-18-6-4-5-7-19(18)30-21(20(22(23)26)29-15(2)25)16-8-10-17(27-3)11-9-16/h4-11,20-21H,12-13H2,1-3H3/t20-,21+/m1/s1 |
| InChIKey |
YLUJWLVIMYSNGT-RTWAWAEBSA-N |
| Molecular Weight |
429.487 g/mol |
| SMILES |
[C@]1(C(N(C2=CC=CC=C2S[C@]1(C=1C=CC(=CC1)OC)[H])CCOC(=O)C)=O)(OC(=O)C)[H] |
