| SpectraBase Compound ID | A5ISGn8pUkO |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-13-5-8-17-19(2,3)18(22)16(21)11-20(17,4)15(13)7-6-14-9-10-23-12-14/h5,9-10,12,15,17-18,22H,6-8,11H2,1-4H3/t15-,17-,18-,20+/m1/s1 |
| InChIKey | AEMJATFYQLCNCH-UIXUWTQFSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Objh7fyKFV |
|---|---|
| Name | Blanesin (3.alpha.-Hydroxy-ent-labda-7-en-13-furan-2-one) |
| Alternate Name(s) | (3S,4aS,8R,8aS)-8-[2-(3-furanyl)ethyl]-3-hydroxy-4,4,7,8a-tetramethyl-3,4a,5,8-tetrahydro-1H-naphthalen-2-one (3S,4aS,8R,8aS)-8-[2-(furan-3-yl)ethyl]-3-hydroxy-4,4,7,8a-tetramethyl-3,4a,5,8-tetrahydro-1H-naphthalen-2-one (3S,4aS,8R,8aS)-8-[2-(furan-3-yl)ethyl]-4,4,7,8a-tetramethyl-3-oxidanyl-3,4a,5,8-tetrahydro-1H-naphthalen-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-13-5-8-17-19(2,3)18(22)16(21)11-20(17,4)15(13)7-6-14-9-10-23-12-14/h5,9-10,12,15,17-18,22H,6-8,11H2,1-4H3/t15-,17-,18-,20+/m1/s1 |
| InChIKey | AEMJATFYQLCNCH-UIXUWTQFSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | O[C@@]1(C(C[C@@]2([C@@](C1(C)C)(CC=C([C@]2(CCc1cocc1)[H])C)[H])C)=O)[H] |
| SPLASH | splash10-001i-9100000000-93d003b85cb9813854e1 |
| Source of Spectrum | AT-35-7871-2 |
| Wiley ID | 852990 |