| SpectraBase Spectrum ID |
CuOjfvzJZ0h |
| Name |
Aspergildiene A |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40 |
| GC Oven Program |
Oven temp 320 oC |
| InChI |
InChI=1S/C25H40/c1-15(2)19-11-12-25(6)14-23-17(4)7-9-20-16(3)8-10-21(20)18(5)22(23)13-24(19)25/h7,15-16,19-20,22-24H,8-14H2,1-6H3/b17-7-,21-18-/t16-,19-,20-,22+,23+,24-,25+/m0/s1 |
| InChIKey |
BDVVDGPZXUYNIN-VWVNOEPQSA-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 |
340.595 g/mol |
| Optical Rotation |
[a]D25 = -63.1 (c = 0.16, cyclohexane) |
| Quality |
394 |
| Reported Formula |
C25H40 |
| SMILES |
[C@@]12(C[C@]3([C@](C[C@]2(CC[C@]1(C(C)C)[H])C)(\C(=C/C[C@@]1(\C(=C/3C)CC[C@@]1(C)[H])[H])C)[H])[H])[H] |
| SPLASH |
splash10-052u-6921000000-73e416c6809b54b3f792 |
| Source of Spectrum |
ACI-61-SM16-2 (DOI: 10.1002/anie.202117273) |
| Thin-Layer Chromatography |
0.99 (100% cyclohexane) |
| Wiley ID |
1897543 |
