| SpectraBase Spectrum ID |
GIt8nwo3xKb |
| Name |
benzhydryl 6,6-diallylpenicillanate |
| CAS Registry Number |
108834-95-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H29NO3S |
| InChI |
InChI=1S/C27H29NO3S/c1-5-17-27(18-6-2)24(30)28-22(26(3,4)32-25(27)28)23(29)31-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h5-16,21-22,25H,1-2,17-18H2,3-4H3/t22-,25+/m0/s1 |
| InChIKey |
MRLQNAKRKGLJFJ-WIOPSUGQSA-N |
| Molecular Weight |
447.593 g/mol |
| SMILES |
[C@@]12(N([C@](C(S2)(C)C)(C(OC(c2ccccc2)c2ccccc2)=O)[H])C(C1(CC=C)CC=C)=O)[H] |
| SPLASH |
splash10-014i-0900000000-e8abfb2b6f4214e89295 |
| Source of Spectrum |
J-52-3661-17 |
| Synonyms |
benzhydryl (2S,5R)-6,6-diallyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| Wiley ID |
1386963 |
