| SpectraBase Spectrum ID |
7mBiCzFxPPk |
| Name |
[1S,1'RS,3aS,4RS,7aS]-1-tert-Butoxy-4-(1'-phenylthioethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan5-one |
| Alternate Name(s) |
(1S,3aS,7aS)-1-tert-butoxy-7a-methyl-4-[1-(phenylsulfanyl)ethyl]octahydro-5H-inden-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O2S |
| InChI |
InChI=1S/C22H32O2S/c1-15(25-16-9-7-6-8-10-16)20-17-11-12-19(24-21(2,3)4)22(17,5)14-13-18(20)23/h6-10,15,17,19-20H,11-14H2,1-5H3/t15?,17-,19-,20?,22-/m0/s1 |
| InChIKey |
XHSGTWKPRAQPKW-UIJDMCKQSA-N |
| Molecular Weight |
360.556 g/mol |
| SMILES |
[C@]12([C@@]([C@@](OC(C)(C)C)(CC2)[H])(CCC(C1C(Sc1ccccc1)C)=O)C)[H] |
| SPLASH |
splash10-0a4l-9502000000-5e896a55e17ebf74c90c |
| Source of Spectrum |
F-47-7588-9 |
| Wiley ID |
1348527 |
![[1S,1'RS,3aS,4RS,7aS]-1-tert-Butoxy-4-(1'-phenylthioethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan5-one](/api/spectrum/7mBiCzFxPPk/structure.png?h=300&w=458 "[1S,1'RS,3aS,4RS,7aS]-1-tert-Butoxy-4-(1'-phenylthioethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan5-one")
