| SpectraBase Spectrum ID |
49GRAH4lBg |
| Name |
(-)-Brarapone B |
| Appearance |
Colorless liquid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.292265843 u |
| Formula |
C25H38O |
| InChI |
InChI=1S/C25H38O/c1-16(2)19-7-8-23(4)9-10-24(5)11-12-25(6)17(3)13-18(26)14-22(25)21(24)15-20(19)23/h14,17,19-21H,1,7-13,15H2,2-6H3/t17-,19+,20-,21+,23+,24-,25-/m0/s1 |
| InChIKey |
PJISNAFAIZOKFT-XSHJDFJHSA-N |
| Inlet Type |
Splitless |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711444 |
| Molecular Weight |
354.578 g/mol |
| Optical Rotation |
[a]D20 = -22.0 (c = 0.6, acetone) |
| Quality |
828 |
| SMILES |
[C@@]12([C@@](CC[C@@]3([C@@](C2)([C@](CC3)(C(C)=C)[H])[H])C)(CC[C@@]2(C1=CC(C[C@@]2(C)[H])=O)C)C)[H] |
| SPLASH |
splash10-0aou-3942000000-aa50c05ad47ebe47d0a0 |
| Source of Spectrum |
ACI-57-SM20-9 (DOI: 10.1002/anie.201711444) |
| Wiley ID |
1891190 |
