| SpectraBase Spectrum ID |
GimpzedWeyP |
| Name |
(+)-(2S,3S)-3-Hydroxy-2,3-dihydro-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin |
| Alternate Name(s) |
(2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H21NO3S |
| InChI |
InChI=1S/C18H21NO3S/c1-22-14-8-6-13(7-9-14)18-16(21)12-19(10-11-20)15-4-2-3-5-17(15)23-18/h2-9,16,18,20-21H,10-12H2,1H3/t16-,18-/m0/s1 |
| InChIKey |
NEGDHHVGVVTNAQ-WMZOPIPTSA-N |
| Molecular Weight |
331.430 g/mol |
| SMILES |
OCCN1c2c(S[C@]([C@](C1)(O)[H])(c1ccc(cc1)OC)[H])cccc2 |
| SPLASH |
splash10-0udi-0900000000-c3ab4634e0f7cc327f7c |
| Source of Spectrum |
E1-39-1199-6 |
| Wiley ID |
1598731 |
