| SpectraBase Compound ID | rlzsX8a2Lc |
|---|---|
| InChI | InChI=1S/C19H26O4S/c1-12-16(23-17(21)8-9-24-5)7-6-13-10-15(20)14(18(2,3)22)11-19(12,13)4/h8-12,16,22H,6-7H2,1-5H3/b9-8-/t12-,16+,19+/m0/s1 |
| InChIKey | SMMJMIYMTKDUOP-UIWQCLFSSA-N |
| Mol Weight | 350.47 g/mol |
| Molecular Formula | C19H26O4S |
| Exact Mass | 350.15518 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GkB3wpJKCe8 |
|---|---|
| Name | S-Petasitin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H26O4S |
| InChI | InChI=1S/C19H26O4S/c1-12-16(23-17(21)8-9-24-5)7-6-13-10-15(20)14(18(2,3)22)11-19(12,13)4/h8-12,16,22H,6-7H2,1-5H3/b9-8-/t12-,16+,19+/m0/s1 |
| InChIKey | SMMJMIYMTKDUOP-UIWQCLFSSA-N |
| Molecular Weight | 350.473 g/mol |
| SMILES | OC(C1=C[C@]2(C(=CC1=O)CC[C@]([C@@]2(C)[H])(OC(\C=C/SC)=O)[H])C)(C)C |
| SPLASH | splash10-03di-0696000000-14261d1cc2b1c90125f1 |
| Source of Spectrum | G4-61-889-3 |
| Synonyms | (Z)-3-(methylthio)-2-propenoic acid [(1R,2R,8aR)-7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] ester [(1R,2R,8aR)-7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate [(1R,2R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate [(1R,2R,8aR)-1,8a-dimethyl-6-oxidanylidene-7-(2-oxidanylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate |
| Wiley ID | 1607350 |