| SpectraBase Spectrum ID |
9P0f54ee8Bn |
| Name |
benzhydryl 6.alpha.-(2'-carbomethoxyethyl)penicillanate |
| Alternate Name(s) |
benzhydryl (2S,5R,6S)-6-(3-methoxy-3-oxopropyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| CAS Registry Number |
108834-83-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H27NO5S |
| InChI |
InChI=1S/C25H27NO5S/c1-25(2)21(26-22(28)18(23(26)32-25)14-15-19(27)30-3)24(29)31-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,20-21,23H,14-15H2,1-3H3/t18-,21-,23+/m0/s1 |
| InChIKey |
AWVJIMSRAOYFSE-AVCGJXAMSA-N |
| Molecular Weight |
453.553 g/mol |
| SMILES |
[C@@]12(N([C@](C(S2)(C)C)(C(OC(c2ccccc2)c2ccccc2)=O)[H])C([C@@]1(CCC(=O)OC)[H])=O)[H] |
| SPLASH |
splash10-014l-0920000000-3ac0e76c66b0c4f1ea7a |
| Source of Spectrum |
J-52-3661-9 |
| Wiley ID |
1388506 |
