| SpectraBase Compound ID | Ez3myJjAoj7 |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-5-14-6-8-16-15-7-9-18(22)21(3,13-11-19(23)24-4)17(15)10-12-20(14,16)2/h5,14-17H,1,6-13H2,2-4H3/t14-,15-,16-,17-,20+,21+/m0/s1 |
| InChIKey | RFLXJVIJRIVFGE-OPLYSGQSSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 88HDXzFWQEN |
|---|---|
| Name | Muricenone B |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-5-14-6-8-16-15-7-9-18(22)21(3,13-11-19(23)24-4)17(15)10-12-20(14,16)2/h5,14-17H,1,6-13H2,2-4H3/t14-,15-,16-,17-,20+,21+/m0/s1 |
| InChIKey | RFLXJVIJRIVFGE-OPLYSGQSSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(CCC(=O)OC)C)=O)[H])(CC[C@@]1(C=C)[H])[H])C |
| SPLASH | splash10-0002-0092000000-eecf65c3a644de599be0 |
| Source of Spectrum | U1-2002-3253-2 |
| Synonyms | 3-[(3R,3aR,5aS,6R,9aS,9bS)-3-ethenyl-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid methyl ester Methyl 3-[(3R,3aR,5aS,6R,9aS,9bS)-3-ethenyl-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate Methyl 3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-7-oxo-3-vinyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate Methyl 3-[(3R,3aR,5aS,6R,9aS,9bS)-3-ethenyl-3a,6-dimethyl-7-oxidanylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate |
| Wiley ID | 1523188 |