| SpectraBase Spectrum ID |
BhsWekmqMCF |
| Name |
cis-3,11,19,27-Tetrathiapentacyclo[27.3.1.1(5,9).1(13,17).1(21,25)]hexatriaconta-1(33),13(35),14.16,29,31-hexaene |
| Alternate Name(s) |
(5R,9S)-3,11,19,27-tetrathiapentacyclo[27.3.1.1(5,9).1(13,17).1(21,25)]hexatriaconta-1(33),13(35),14,16,29,31-hexaene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H44S4 |
| InChI |
InChI=1S/C32H44S4/c1-5-25-13-26(6-1)18-34-20-28-8-3-10-30(15-28)22-36-24-32-12-4-11-31(16-32)23-35-21-29-9-2-7-27(14-29)19-33-17-25/h1,4-6,11-13,16,27-30H,2-3,7-10,14-15,17-24H2/t27-,28?,29+,30? |
| InChIKey |
AJALFIMXOSINHD-WABKTCCSSA-N |
| Molecular Weight |
556.944 g/mol |
| SMILES |
C1SC[C@@]2(C[C@](CSCc3cc(CSCC4CC(CSCc5cc1ccc5)CCC4)ccc3)(CCC2)[H])[H] |
| SPLASH |
splash10-0006-0900000000-7775954ad48845069793 |
| Source of Spectrum |
KC-0-1728-15 |
| Wiley ID |
828466 |
![cis-3,11,19,27-Tetrathiapentacyclo[27.3.1.1(5,9).1(13,17).1(21,25)]hexatriaconta-1(33),13(35),14.16,29,31-hexaene](/api/spectrum/BhsWekmqMCF/structure.png?h=300&w=458 "cis-3,11,19,27-Tetrathiapentacyclo[27.3.1.1(5,9).1(13,17).1(21,25)]hexatriaconta-1(33),13(35),14.16,29,31-hexaene")
