![(2S)-2-[(1S,2R,4aR)-1-acetoxy-7-keto-4a,8-dimethyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-hydroxy-propionic acid methyl ester](/api/spectrum/B0yI9jXNm5I/structure.png?h=300&w=458 "(2S)-2-[(1S,2R,4aR)-1-acetoxy-7-keto-4a,8-dimethyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-hydroxy-propionic acid methyl ester")
| SpectraBase Compound ID | KSqbrxyd8MQ |
|---|---|
| InChI | InChI=1S/C18H26O6/c1-10-13(20)7-9-17(3)8-6-12(18(4,22)16(21)23-5)15(14(10)17)24-11(2)19/h12,15,22H,6-9H2,1-5H3/t12-,15+,17-,18+/m1/s1 |
| InChIKey | RHLYAELDCYHKHC-XGWTYTTDSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C18H26O6 |
| Exact Mass | 338.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0yI9jXNm5I |
|---|---|
| Name | (2S)-2-[(1S,2R,4aR)-1-acetoxy-7-keto-4a,8-dimethyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-hydroxy-propionic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H26O6 |
| InChI | InChI=1S/C18H26O6/c1-10-13(20)7-9-17(3)8-6-12(18(4,22)16(21)23-5)15(14(10)17)24-11(2)19/h12,15,22H,6-9H2,1-5H3/t12-,15+,17-,18+/m1/s1 |
| InChIKey | RHLYAELDCYHKHC-XGWTYTTDSA-N |
| Molecular Weight | 338.400 g/mol |
| SMILES | O[C@@]([C@]1([C@@](C2=C(C(=O)CC[C@]2(CC1)C)C)(OC(=O)C)[H])[H])(C(=O)OC)C |
| SPLASH | splash10-002f-1903000000-35007cc6b8fe79a1bb8a |
| Source of Spectrum | KC-57-2175-6 |
| Synonyms | (2S)-2-[(1S,2R,4aR)-1-acetyloxy-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-hydroxypropanoic acid methyl ester Methyl (2S)-2-[(1S,2R,4aR)-1-acetoxy-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-hydroxy-propanoate Methyl (2S)-2-[(1S,2R,4aR)-1-acetyloxy-4a,8-dimethyl-7-oxidanylidene-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-oxidanyl-propanoate Methyl (2S)-2-[(1S,2R,4aR)-1-acetyloxy-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-hydroxypropanoate |
| Wiley ID | 1623395 |