| SpectraBase Spectrum ID |
Ezzdx0qoI9f |
| Name |
[1S,1'RS,3aS,4RS,7aS]-1-tert-Butoxy-4-(2'-phenyl-1'-phenylthioethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one |
| Alternate Name(s) |
(17alpha)-17-tert-butoxy-7-(phenylsulfanyl)-9,10-secoestra-1,3,5(10)-trien-9-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36O2S |
| InChI |
InChI=1S/C28H36O2S/c1-27(2,3)30-25-16-15-22-26(23(29)17-18-28(22,25)4)24(19-20-11-7-5-8-12-20)31-21-13-9-6-10-14-21/h5-14,22,24-26H,15-19H2,1-4H3/t22?,24?,25-,26?,28?/m0/s1 |
| InChIKey |
ISIYSOJMGLZBRM-ZYYLRKPASA-N |
| Molecular Weight |
436.654 g/mol |
| SMILES |
C12C([C@@](OC(C)(C)C)(CC2)[H])(CCC(C1C(Sc1ccccc1)Cc1ccccc1)=O)C |
| SPLASH |
splash10-054o-9010300000-89d3dae8d467f8c562a2 |
| Source of Spectrum |
F-47-7589-9 |
| Wiley ID |
1383655 |
![[1S,1'RS,3aS,4RS,7aS]-1-tert-Butoxy-4-(2'-phenyl-1'-phenylthioethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one](/api/spectrum/Ezzdx0qoI9f/structure.png?h=300&w=458 "[1S,1'RS,3aS,4RS,7aS]-1-tert-Butoxy-4-(2'-phenyl-1'-phenylthioethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one")
