| SpectraBase Spectrum ID |
77PlstlPF09 |
| Name |
(1'R(*),2'E,3S(*),4S(*))-3-t-butoxy-4-[1'-(benzothiazol-2"-ylthio)oct-2'-enyl]cyclopentanone |
| Alternate Name(s) |
(3S,4S)-3-[(1R,2E)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-octenyl]-4-tert-butoxycyclopentanone |
| CAS Registry Number |
112775-30-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H33NO2S2 |
| InChI |
InChI=1S/C24H33NO2S2/c1-5-6-7-8-9-13-21(18-15-17(26)16-20(18)27-24(2,3)4)28-23-25-19-12-10-11-14-22(19)29-23/h9-14,18,20-21H,5-8,15-16H2,1-4H3/b13-9+/t18-,20-,21+/m0/s1 |
| InChIKey |
USWCKQCOLIAOCO-MGRTWEQWSA-N |
| Molecular Weight |
431.653 g/mol |
| SMILES |
c1(nc2ccccc2s1)S[C@@]([C@@]1([C@](CC(C1)=O)(OC(C)(C)C)[H])[H])(\C=C\CCCCC)[H] |
| SPLASH |
splash10-0aor-9601000000-a75389eb9470f1752375 |
| Source of Spectrum |
B-40-965-45 |
| Wiley ID |
1381978 |
![(1'R(*),2'E,3S(*),4S(*))-3-t-butoxy-4-[1'-(benzothiazol-2"-ylthio)oct-2'-enyl]cyclopentanone](/api/spectrum/77PlstlPF09/structure.png?h=300&w=458 "(1'R(*),2'E,3S(*),4S(*))-3-t-butoxy-4-[1'-(benzothiazol-2\"-ylthio)oct-2'-enyl]cyclopentanone")
