| SpectraBase Compound ID | C4a21cjfCVA |
|---|---|
| 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 |
| InChIKey | BVRDNJZFYKHRJQ-UHFFFAOYSA-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 | 3ohpCYtruDV |
|---|---|
| Name | Arbusculin A |
| Alternate Name(s) | 5a,9-dimethyl-3-methylidene-9-oxidanyl-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one 9-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-2-one 9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one |
| CAS Registry Number | 27652-22-8 |
| 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 |
| InChIKey | BVRDNJZFYKHRJQ-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | OC1(C2C3C(CCC2(CCC1)C)C(C(O3)=O)=C)C |
| SPLASH | splash10-000i-0090000000-9fbb8e8ffb366f00dcc4 |
| Source of Spectrum | J-56-3591-20 |
| Wiley ID | 1253704 |