| SpectraBase Spectrum ID |
BpOY49indr4 |
| Name |
(-)-Boonein |
| Appearance |
Light yellow viscous liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-5-7(10)4-6-2-3-12-9(11)8(5)6/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1 |
| InChIKey |
WJMOFJJTTHNUOH-XUTVFYLZSA-N |
| Instrument Name |
ThermoFinnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b00691 |
| Molecular Weight |
170.208 g/mol |
| Optical Rotation |
[a]D24 = -28.6 (c = 0.5, CHCl3) |
| Reported Formula |
C9H14O3 |
| SMILES |
O[C@@]1(C[C@@]2([C@]([C@@]1(C)[H])(C(OCC2)=O)[H])[H])[H] |
| SPLASH |
splash10-0002-9000000000-e4acb5911f18b2a42228 |
| Source of Spectrum |
G4-79-772-6 |
| Wiley ID |
1849282 |
