![1,4-Naphthalenedione, 5-[(acetyloxy)methyl]-4a,5,8,8a-tetrahydro-2,4a-dimethyl-, (4a.alpha.,5.beta.,8a.beta.)-](/api/spectrum/I5bQTmGURRp/structure.png?h=300&w=458 "1,4-Naphthalenedione, 5-[(acetyloxy)methyl]-4a,5,8,8a-tetrahydro-2,4a-dimethyl-, (4a.alpha.,5.beta.,8a.beta.)-")
| SpectraBase Compound ID | 2sP3pSi3cg2 |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-9-7-13(17)15(3)11(8-19-10(2)16)5-4-6-12(15)14(9)18/h4-5,7,11-12H,6,8H2,1-3H3/t11-,12-,15+/m1/s1 |
| InChIKey | HCPAIDMIRUBDAS-JMSVASOKSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I5bQTmGURRp |
|---|---|
| Name | 1,4-Naphthalenedione, 5-[(acetyloxy)methyl]-4a,5,8,8a-tetrahydro-2,4a-dimethyl-, (4a.alpha.,5.beta.,8a.beta.)- |
| CAS Registry Number | 63780-12-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-9-7-13(17)15(3)11(8-19-10(2)16)5-4-6-12(15)14(9)18/h4-5,7,11-12H,6,8H2,1-3H3/t11-,12-,15+/m1/s1 |
| InChIKey | HCPAIDMIRUBDAS-JMSVASOKSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | [C@@]12(C(C=C(C([C@]2(CC=C[C@@]1(COC(=O)C)[H])[H])=O)C)=O)C |
| SPLASH | splash10-0uki-0290000000-53b4e1d901cf724ddd80 |
| Source of Spectrum | K-110-2042-0 |
| Synonyms | 5.alpha.-acetoxymethyl-4a,5,8,8a.alpha.-tetrahydro-2,4a.beta.-dimethyl-1,4-naphthalindione [(1S,4aS,8aS)-6,8a-dimethyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydro-1-naphthalenyl]methyl acetate Acetic acid [(1S,4aS,8aS)-6,8a-dimethyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]methyl ester [(1S,4aS,8aS)-6,8a-dimethyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]methyl acetate [(1S,4aS,8aS)-6,8a-dimethyl-5,8-bis(oxidanylidene)-4,4a-dihydro-1H-naphthalen-1-yl]methyl ethanoate |
| Wiley ID | 1265817 |