| SpectraBase Spectrum ID |
1Xpww3sWPEL |
| Name |
(1S,8R,8aR) 4-oxo-8-pentyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-3-4-5-7-12-8-6-9-13-14(18)10-19-16(15(12)13)20-11(2)17/h6,8-9,12,15-16H,3-5,7,10H2,1-2H3/t12-,15-,16+/m1/s1 |
| InChIKey |
NYGWWBVDPFCSAH-WQVCFCJDSA-N |
| Literature Reference DOI |
10.1021/ol301602h |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C1=C[C@]([C@@]2(C(=C1)C(CO[C@]2(OC(=O)C)[H])=O)[H])(CCCCC)[H] |
| SPLASH |
splash10-0002-2900000000-70a15987959c85930814 |
| Source of Spectrum |
A1-14-3740/SMS5-4e |
| Synonyms |
(1S,8R,8aR)-4-oxo-8-pentyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate |
| Wiley ID |
1750433 |
