| SpectraBase Compound ID | IsuKlNe5EWG |
|---|---|
| InChI | InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3 |
| InChIKey | WNFXUXZJJKTDOZ-UHFFFAOYSA-N |
| Mol Weight | 330.34 g/mol |
| Molecular Formula | C18H18O6 |
| Exact Mass | 330.110338 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9rkmGbvfmiW |
|---|---|
| Name | Acetylshikonin |
| CAS Registry Number | 24502-78-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H18O6 |
| InChI | InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3 |
| InChIKey | WNFXUXZJJKTDOZ-UHFFFAOYSA-N |
| Molecular Weight | 330.336 g/mol |
| SMILES | Oc1c2C(C=C(C(c2c(cc1)O)=O)C(OC(=O)C)CC=C(C)C)=O |
| SPLASH | splash10-00xu-8190000000-53653fae6de12939a678 |
| Source of Spectrum | CD-556-0-0 |
| Synonyms | (+)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone 2-acetate 1,4-Naphthalenedione, 2-(1-(acetyloxy)-4-methyl-3-pentenyl)-5,8-dihydroxy-, (R)- 1,4-Naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, 2-acetate, (+)- 1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl acetate Shikonin, acetyl Acetic acid [1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methylpent-3-enyl] ester [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate [1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] acetate [1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] ethanoate |
| Wiley ID | 1327782 |