| SpectraBase Spectrum ID |
HGL5ciMfdJe |
| Name |
Neoverrucosan-5.beta.-ol |
| Appearance |
Colorless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.260965714 u |
| Formula |
C20H34O |
| GC Oven Program |
Oven temp 225oC |
| InChI |
InChI=1S/C20H34O/c1-12(2)13-6-7-18(3)8-9-19(4)11-15(21)20(5)10-14(20)17(19)16(13)18/h12-17,21H,6-11H2,1-5H3/t13-,14-,15+,16+,17+,18+,19-,20-/m0/s1 |
| InChIKey |
JXDKJHNZVVRXON-ROJCJYFNSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201700565 |
| Molecular Weight |
290.491 g/mol |
| Optical Rotation |
[a]D25 = -24.6 (c = 0.2, CHCl3) |
| Quality |
731 |
| Reported Formula |
C20H34O |
| SMILES |
O[C@]1([C@@]2([C@]([C@]3([C@](C1)(CC[C@@]1([C@@]3([C@@](CC1)(C(C)C)[H])[H])C)C)[H])(C2)[H])C)[H] |
| SPLASH |
splash10-0aos-7920000000-25690b4f99d02b28a1ab |
| Source of Spectrum |
ACI-56-SM29-8 (DOI: 10.1002/anie.201700565) |
| Thin-Layer Chromatography |
0.3 (hexane/ethyl acetate, 15:1) |
| Wiley ID |
1895818 |
