| SpectraBase Spectrum ID |
3GQRlfBBz1b |
| Name |
(+)-Brassitetraene B |
| Appearance |
Colorless liquid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40 |
| InChI |
InChI=1S/C25H40/c1-19(2)23-16-18-25(6)17-15-22(5)12-8-10-20(3)9-7-11-21(4)13-14-24(23)25/h10-11,15,23-24H,1,7-9,12-14,16-18H2,2-6H3/b20-10+,21-11+,22-15+/t23-,24-,25-/m0/s1 |
| InChIKey |
OOAGNDVPNQTUHH-HIZNCHJXSA-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 = +3.8 (c = 0.13, acetone) |
| Quality |
814 |
| SMILES |
C1\C=C\(CC\C=C\(CC[C@@]2([C@@](C\C=C\(C1)C)(CC[C@]2(C(=C)C)[H])C)[H])C)C |
| SPLASH |
splash10-00xs-5900000000-cf1331d3c78408b74772 |
| Source of Spectrum |
ACI-57-SM20-2b (DOI: 10.1002/anie.201711444) |
| Wiley ID |
1891182 |
