| SpectraBase Spectrum ID |
7McIKMSum |
| Name |
Sesterviolene A |
| Carrier Gas |
Helium (1 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40 |
| GC Column |
HP5-MS (30 m x 0.25 mm, film thickness 0.50 micrometer) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C25H40/c1-16(2)20-11-12-24(6)15-21-17(3)10-13-25(23(21)14-22(20)24)18(4)8-7-9-19(25)5/h8,14,16-17,19-22H,7,9-13,15H2,1-6H3/t17-,19-,20+,21+,22-,24+,25+/m0/s1 |
| InChIKey |
LXNFNPGSBULINM-FEMJTRJBSA-N |
| Inlet Type |
splitless or split (50:1) |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202215688 |
| Molecular Weight |
340.595 g/mol |
| Optical Rotation |
[a]D20 = +18.0 (c = 0.10, CH2Cl2) |
| Quality |
419 |
| Reported Formula |
C25H40 |
| SMILES |
C1[C@@]([C@@]2(C([C@]3(C1)C(=CCC[C@@]3(C)[H])C)=C[C@@]1([C@@](C2)(CC[C@@]1(C(C)C)[H])C)[H])[H])(C)[H] |
| SPLASH |
splash10-0006-5922000000-ae42d419d18a25f6816b |
| Source of Spectrum |
ACI-62-SM6-1 (DOI: 10.1002/anie.202215688) |
| Thin-Layer Chromatography |
0.8 (n-hexane, 100%) |
| Wiley ID |
1908257 |
