| SpectraBase Compound ID | 35x5lXKuXIg |
|---|---|
| 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/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1 |
| InChIKey | ISTBXSFGFOYLTM-NZEDGPFZSA-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 | G1NZ8nK0kEG |
|---|---|
| Name | (+)-Petasin |
| 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/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1 |
| InChIKey | ISTBXSFGFOYLTM-NZEDGPFZSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | [C@@]12(C(=CC([C@@](C2)(C(=C)C)[H])=O)CC[C@@](OC(\C(=C/C)C)=O)([C@@]1(C)[H])[H])C |
| SPLASH | splash10-0002-0912000000-d72be6e182fa56847bb4 |
| Source of Spectrum | SO-0-111-1 |
| Synonyms | (Z)-2-methyl-2-butenoic acid [(1R,2R,7S,8aR)-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl] ester [(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate [(1R,2R,7S,8aR)-7-isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate [(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxidanylidene-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate |
| Wiley ID | 874228 |