| SpectraBase Spectrum ID |
8jCU1ZR4kq9 |
| Name |
16-epi-Aspergilol C |
| 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/c1-14(2)20-12-24(26)25(6)13-22-16(4)7-9-18-15(3)8-10-19(18)17(5)21(22)11-23(20)25/h13-16,18,20-21,23-24,26H,7-12H2,1-6H3/b19-17-/t15-,16+,18-,20-,21+,23-,24-,25+/m0/s1 |
| InChIKey |
JCUCXCOYQLBBHD-HFMYQDJQSA-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 = -171.0 (c = 0.03, cyclohexane) |
| Quality |
431 |
| Reported Formula |
C25H40O |
| SMILES |
O[C@@]1([C@]2([C@@](C[C@]3(C(=C2)[C@@](CC[C@@]2(\C(=C/3C)CC[C@@]2(C)[H])[H])(C)[H])[H])([C@@](C1)(C(C)C)[H])[H])C)[H] |
| SPLASH |
splash10-0a4m-7952000000-09229597174cd2b8008f |
| Source of Spectrum |
ACI-61-SM147-13 (DOI: 10.1002/anie.202117273) |
| Thin-Layer Chromatography |
0.60 (cyclohexane/ethyl acetate, 80:20) |
| Wiley ID |
1897540 |
