| SpectraBase Spectrum ID |
1ttnpeYNFo |
| Name |
16-Hydroxycalidoustatetraene |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O |
| GC Oven Program |
Oven temp 320 oC |
| InChI |
InChI=1S/C25H40O/c1-18(2)22-17-24(26)25(6)16-15-21(5)12-8-10-19(3)9-7-11-20(4)13-14-23(22)25/h10-11,15,22-24,26H,1,7-9,12-14,16-17H2,2-6H3/b19-10+,20-11+,21-15+/t22-,23-,24-,25+/m0/s1 |
| InChIKey |
BWZJQYRQVDKQML-SUJWYUPZSA-N |
| Inlet Type |
split or splitless injector |
| Instrument Name |
Agilent HP 7890B GC-5977A inert mass detector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202117273 |
| Molecular Weight |
356.594 g/mol |
| Optical Rotation |
[a]D25 = -31.0 (c = 0.04, cyclohexane) |
| Quality |
426 |
| SMILES |
O[C@@]1([C@]2([C@@](CC\C(=C\CC\C(=C\CC\C(=C\C2)C)C)C)([C@@](C1)(C(C)=C)[H])[H])C)[H] |
| SPLASH |
splash10-0a5c-9611000000-a8b0fac6f6e1add6256d |
| Source of Spectrum |
ACI-61-SM147-15 (DOI: 10.1002/anie.202117273) |
| Thin-Layer Chromatography |
0.54 (cyclohexane/ethyl acetate, 80:20) |
| Wiley ID |
1897542 |
