| SpectraBase Spectrum ID |
4zYi28HzlJS |
| Name |
(1R*,5S*)-Hex-5-ynoic acid 1-(3-methyl-but-2-enyl)-7-oxo-6-oxabicyclo[ 3.2.0]hept-2-en-3-ylmethyl ester |
| Alternate Name(s) |
Vibralactone probe
((1R,5S)-1-(3-methylbut-2-en-1-yl)-7-oxo-6-oxabicyclo[3.2.0]hept-2-en-3-yl)methyl hex-5-ynoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O4 |
| InChI |
InChI=1S/C18H22O4/c1-4-5-6-7-16(19)21-12-14-10-15-18(11-14,17(20)22-15)9-8-13(2)3/h1,8,11,15H,5-7,9-10,12H2,2-3H3/t15-,18+/m0/s1 |
| InChIKey |
DHKSDRSLETXZLW-MAUKXSAKSA-N |
| Literature Reference DOI |
10.1002/anie.201104391 |
| Molecular Weight |
302.370 g/mol |
| SMILES |
C1(=O)O[C@@]2([C@]1(C=C(C2)COC(CCCC#C)=O)CC=C(C)C)[H] |
| SPLASH |
splash10-000y-7900000000-6a1c61583f5f6b33f1b2 |
| Source of Spectrum |
ACI-50-SM9-VLP |
| Wiley ID |
1780082 |
![(1R*,5S*)-Hex-5-ynoic acid 1-(3-methyl-but-2-enyl)-7-oxo-6-oxabicyclo[ 3.2.0]hept-2-en-3-ylmethyl ester](/api/spectrum/4zYi28HzlJS/structure.png?h=300&w=458 "(1R*,5S*)-Hex-5-ynoic acid 1-(3-methyl-but-2-enyl)-7-oxo-6-oxabicyclo[ 3.2.0]hept-2-en-3-ylmethyl ester")
