| SpectraBase Spectrum ID |
648qRTS3T3H |
| Name |
3,4,5,6-Tetrahydro-7-acetoxy-2-(1,3-dithian-2-yl)-9-pentyl-2,6-methano-2H-1-benzoxocin |
| Alternate Name(s) |
9-(1,3-dithian-2-yl)-5-pentyl-8-oxatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H32O3S2 |
| InChI |
InChI=1S/C23H32O3S2/c1-3-4-5-8-17-13-19(25-16(2)24)21-18-9-6-10-23(15-18,26-20(21)14-17)22-27-11-7-12-28-22/h13-14,18,22H,3-12,15H2,1-2H3 |
| InChIKey |
MDFIJBHUACPBMG-UHFFFAOYSA-N |
| Molecular Weight |
420.626 g/mol |
| SMILES |
C12(Oc3cc(CCCCC)cc(c3C(C2)CCC1)OC(=O)C)C1SCCCS1 |
| SPLASH |
splash10-01b9-0941300000-6153cbf94ef3d2f9fce6 |
| Source of Spectrum |
QB-12-634-4 |
| Wiley ID |
840937 |
