| SpectraBase Spectrum ID |
7SWdPZX9j3G |
| Name |
(-)-Caprutriene B |
| Appearance |
Colorless liquid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40 |
| InChI |
InChI=1S/C25H40/c1-18(2)21-12-16-25(6)15-11-19(3)9-10-22-20(4)8-7-14-24(22,5)17-13-23(21)25/h11,21-23H,1,4,7-10,12-17H2,2-3,5-6H3/b19-11+/t21-,22+,23-,24-,25-/m0/s1 |
| InChIKey |
CRKMRFUUTDSRKM-UXVMCUQHSA-N |
| Inlet Type |
Splitless |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711444 |
| Molecular Weight |
340.595 g/mol |
| Optical Rotation |
[a]D20 = -24.3 (c = 0.28, acetone) |
| Quality |
729 |
| SMILES |
C1C\C(=C\C[C@@]2([C@@](CC[C@@]3(CCCC([C@@]13[H])=C)C)([C@@](CC2)(C(=C)C)[H])[H])C)C |
| SPLASH |
splash10-00di-3910000000-adfa77c4b655e3cb9223 |
| Source of Spectrum |
ACI-57-SM20-3a (DOI: 10.1002/anie.201711444) |
| Wiley ID |
1891183 |
