| SpectraBase Spectrum ID |
9hIQPPs3o5G |
| Name |
(+)-Brarapadiene A |
| Appearance |
Colorless liquid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40 |
| InChI |
InChI=1S/C25H40/c1-17(2)19-10-11-23(4)12-13-24(5)14-15-25(6)18(3)8-7-9-20(25)22(24)16-21(19)23/h9,18-19,21-22H,1,7-8,10-16H2,2-6H3/t18-,19-,21+,22-,23-,24+,25+/m1/s1 |
| InChIKey |
JPXGOJLXEOBSQC-KFWYZIKJSA-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 = +26.3 (c = 0.16, acetone) |
| Quality |
603 |
| SMILES |
[C@@]12([C@@](CC[C@@]3([C@@](C2)([C@](CC3)(C(C)=C)[H])[H])C)(CC[C@@]2(C1=CCC[C@]2(C)[H])C)C)[H] |
| SPLASH |
splash10-0k95-4900000000-99efb482f5e349a1b378 |
| Source of Spectrum |
ACI-57-SM20-5 (DOI: 10.1002/anie.201711444) |
| Wiley ID |
1891186 |
