| SpectraBase Compound ID | 2G4cBDBZgM5 |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12?,14+,15+/m0/s1 |
| InChIKey | BVRDNJZFYKHRJQ-ZHHVWJBLSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1miLl2uEP1A |
|---|---|
| Name | 11,13-Dihydro-11.alpha.hydroxyarbusculin B |
| Alternate Name(s) | (3aS,5aR,9R,9bS)-9-hydroxy-5a,9-dimethyl-3-methylenedecahydronaphtho[1,2-b]furan-2(3H)-one (3aS,5aR,9R,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one (3aS,5aR,9R,9bS)-5a,9-dimethyl-3-methylidene-9-oxidanyl-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12?,14+,15+/m0/s1 |
| InChIKey | BVRDNJZFYKHRJQ-ZHHVWJBLSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | O[C@]1(C2[C@]3(OC(=O)C([C@@]3(CC[C@]2(CCC1)C)[H])=C)[H])C |
| SPLASH | splash10-001i-0090000000-2b92da58e92b0364f2cc |
| Source of Spectrum | F-50-5446-12 |
| Wiley ID | 1253758 |