| SpectraBase Compound ID | C3F1pwulTO7 |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-13-17(26-14(2)22)12-20(3)11-16(23)5-6-18(20)21(13,4)9-7-15-8-10-25-19(15)24/h8,13,17-18H,5-7,9-12H2,1-4H3/t13-,17-,18+,20-,21+/m0/s1 |
| InChIKey | QDTUSVHHDVBLPZ-FUESZREHSA-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 | Bm20bT2vfS3 |
|---|---|
| Name | (+)-7.beta.-Acetoxy-3-oxo-18-nor-13-cleroden-16,15-olide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-13-17(26-14(2)22)12-20(3)11-16(23)5-6-18(20)21(13,4)9-7-15-8-10-25-19(15)24/h8,13,17-18H,5-7,9-12H2,1-4H3/t13-,17-,18+,20-,21+/m0/s1 |
| InChIKey | QDTUSVHHDVBLPZ-FUESZREHSA-N |
| Molecular Weight | 362.466 g/mol |
| SMILES | [C@]12([C@]([C@@](CCC=3C(OCC3)=O)(C)[C@]([C@](C1)(OC(=O)C)[H])(C)[H])(CCC(C2)=O)[H])C |
| SPLASH | splash10-0006-0916000000-c4ea8b43ae0d70e7435b |
| Source of Spectrum | E1-42-1206-10 |
| Synonyms | Acetic acid [(2S,3R,4S,4aR,8aR)-3,4,8a-trimethyl-7-oxo-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-yl] ester [(2S,3R,4S,4aR,8aR)-3,4,8a-trimethyl-7-oxo-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-yl] acetate [(2S,3R,4S,4aR,8aR)-3,4,8a-trimethyl-7-oxo-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate [(2S,3R,4S,4aR,8aR)-3,4,8a-trimethyl-7-oxidanylidene-4-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-yl] ethanoate |
| Wiley ID | 1552677 |