| SpectraBase Spectrum ID |
FviDhGNBPBK |
| Name |
Atractylenolide I |
| Alternate Name(s) |
(8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O2 |
| InChI |
InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12?,15-/m1/s1 |
| InChIKey |
ZTVSGQPHMUYCRS-WPZCJLIBSA-N |
| Molecular Weight |
230.307 g/mol |
| SMILES |
C=12C(=C(C)C(O2)=O)CC2[C@@](C1)(CCCC2=C)C |
| SPLASH |
splash10-014i-0090000000-15955eab7417781ddb85 |
| Source of Spectrum |
QA-47-564-10 |
| Wiley ID |
863513 |
