| SpectraBase Spectrum ID |
43hiuvGQOVW |
| Name |
(2R,3aS,7aR)-2-(1-Hydroxy-1-methyl-ethyl)-6-(3-methyl-but-2-enyl)-2,3,3a,7a-tetrahydro-4H-benzofuran-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O3 |
| InChI |
InChI=1S/C16H24O3/c1-10(2)5-6-11-8-14-12(7-13(11)17)9-15(19-14)16(3,4)18/h5,8,12,14-15,18H,6-7,9H2,1-4H3/t12-,14+,15-/m1/s1 |
| InChIKey |
HNJIEOWISAFAKD-VHDGCEQUSA-N |
| Molecular Weight |
264.365 g/mol |
| SMILES |
OC([C@@]1(O[C@]2(C=C(CC=C(C)C)C(C[C@]2([H])C1)=O)[H])[H])(C)C |
| SPLASH |
splash10-03di-0090000000-cec3bab5f01bef19c29c |
| Source of Spectrum |
U1-2011-5166-4 |
| Synonyms |
Pestalotheol H
(2R,3aS,7aR)-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-3,3a,4,7a-tetrahydro-2H-benzofuran-5-one
(2R,3aS,7aR)-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-3,3a,4,7a-tetrahydro-2H-1-benzofuran-5-one
(2R,3aS,7aR)-6-(3-methylbut-2-enyl)-2-(2-oxidanylpropan-2-yl)-3,3a,4,7a-tetrahydro-2H-1-benzofuran-5-one |
| Wiley ID |
1665942 |
