| SpectraBase Compound ID | GfoWz3gxV6R |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,18H,8-9,11H2,1-6H3/b13-7-/t14-,18+,20+/m0/s1 |
| InChIKey | OFDHBFFGRFCQOW-KSEJUSODSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7fAZZocDs6e |
|---|---|
| Name | (+)-Isopetasin |
| Alternate Name(s) | (Z)-2-methyl-2-butenoic acid [(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] ester [(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate [(1R,2R,8aR)-7-isopropylidene-1,8a-dimethyl-6-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate [(1R,2R,8aR)-1,8a-dimethyl-6-oxidanylidene-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,18H,8-9,11H2,1-6H3/b13-7-/t14-,18+,20+/m0/s1 |
| InChIKey | OFDHBFFGRFCQOW-KSEJUSODSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | [C@@]12(C(=CC(C(C2)=C(C)C)=O)CC[C@@](OC(\C(=C/C)C)=O)([C@@]1(C)[H])[H])C |
| SPLASH | splash10-02t9-5968000000-f6a1ba156be225381e44 |
| Source of Spectrum | SO-0-111-2 |
| Wiley ID | 874231 |