| SpectraBase Spectrum ID |
Azw9R15jnHM |
| Name |
Sesterviolene B |
| 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/c1-17(2)21-14-16-25(6)15-13-18(3)7-10-22-19(4)8-11-23(22)20(5)9-12-24(21)25/h9-10,13,17,19,21,23-24H,7-8,11-12,14-16H2,1-6H3/b18-13+,20-9+,22-10-/t19-,21+,23-,24-,25-/m0/s1 |
| InChIKey |
RGXPVTCXXHGAHK-ZOFHZUOWSA-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 = -40.6 (c = 0.07, CH2Cl2) |
| Quality |
406 |
| Reported Formula |
C25H40 |
| SMILES |
C1\C=C/2[C@](\C(=C\C[C@@]3([C@@](C\C=C\1C)(CC[C@@]3(C(C)C)[H])C)[H])C)(CC[C@@]2(C)[H])[H] |
| SPLASH |
splash10-0536-5913000000-d4e31c1fff4ed16470ab |
| Source of Spectrum |
ACI-62-SM35-2 (DOI: 10.1002/anie.202215688) |
| Thin-Layer Chromatography |
0.6 (n-hexane, 100%) |
| Wiley ID |
1908258 |
