| SpectraBase Spectrum ID |
4gFhjr7vAZj |
| Name |
(4R,5S,9S,10S,11S)-Morel-2-en-1,7-dione 1,7-bis(ethylenedithioketal) |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H28S4 |
| InChI |
InChI=1S/C19H28S4/c1-11-9-18(20-5-6-21-18)15-12(2)13-10-19(22-7-8-23-19)17(3,4)16(15)14(11)13/h9,12-16H,5-8,10H2,1-4H3/t12-,13-,14+,15+,16-/m0/s1 |
| InChIKey |
ZACPJVTXCVXKCO-RBZJEDDUSA-N |
| Instrument Name |
Hewlett-Packard 5989A or Varian Saturn 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030354e |
| Molecular Weight |
384.673 g/mol |
| Optical Rotation |
[a]D = +210 (c = 0.66) |
| Reported Formula |
C19H28S4 |
| SMILES |
C=1C2([C@]3([C@@]4([C@](C1C)([C@@](CC1(C4(C)C)SCCS1)([C@@]3(C)[H])[H])[H])[H])[H])SCCS2 |
| SPLASH |
splash10-0a4i-0329000000-df8c2b9c9b44fbb7ad9f |
| Source of Spectrum |
G4-67-191-4 |
| Wiley ID |
1881658 |
