| SpectraBase Compound ID | 1zA25YB46wE |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-20-10-4-11-21(2,19(24)25-3)17(20)8-6-15(13-22)16(20)7-5-14-9-12-26-18(14)23/h9,17,22H,4-8,10-13H2,1-3H3/t17-,20-,21+/m1/s1 |
| InChIKey | RPRXLTUVIHBKHI-UIFIKXQLSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KKUlLVOp4Y |
|---|---|
| Name | 17-Hydroxy-8,13-labdadien-16,15-olid-19-oic acid methyl ester |
| Alternate Name(s) | Methyl (1S,4aS,8aR)-6-(hydroxymethyl)-1,4a-dimethyl-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenecarboxylate (1S,4aS,8aR)-6-(hydroxymethyl)-1,4a-dimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid methyl ester Methyl (1S,4aS,8aR)-6-(hydroxymethyl)-1,4a-dimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylate Methyl (1S,4aS,8aR)-6-(hydroxymethyl)-1,4a-dimethyl-5-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-20-10-4-11-21(2,19(24)25-3)17(20)8-6-15(13-22)16(20)7-5-14-9-12-26-18(14)23/h9,17,22H,4-8,10-13H2,1-3H3/t17-,20-,21+/m1/s1 |
| InChIKey | RPRXLTUVIHBKHI-UIFIKXQLSA-N |
| Molecular Weight | 362.466 g/mol |
| SMILES | OCC1=C([C@@]2([C@]([C@](C(=O)OC)(C)CCC2)(CC1)[H])C)CCC=1C(OCC1)=O |
| SPLASH | splash10-00di-0900000000-811f310954f85d984e7f |
| Source of Spectrum | QB-19-595-4 |
| Wiley ID | 842006 |