| SpectraBase Compound ID | hRbZwn0NQq |
|---|---|
| InChI | InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3 |
| InChIKey | BATBOVZTQBLKIL-UHFFFAOYSA-N |
| Mol Weight | 370.4 g/mol |
| Molecular Formula | C21H22O6 |
| Exact Mass | 370.141638 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 609zKp3Skbo |
|---|---|
| Name | 1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl 3-methyl-2-butenoate |
| CAS Registry Number | 24502-79-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22O6 |
| InChI | InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3 |
| InChIKey | BATBOVZTQBLKIL-UHFFFAOYSA-N |
| Molecular Weight | 370.401 g/mol |
| SMILES | Oc1ccc(c2c1C(C(=CC2=O)C(CC=C(C)C)OC(C=C(C)C)=O)=O)O |
| SPLASH | splash10-001i-8390000000-0b51d860d06175511459 |
| Source of Spectrum | W5-1989-35459-30077 |
| Synonyms | .beta.,.beta.-Dimethylacrylshikonin 2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (+)- 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R)- DMASK Isoarnebin I Shikonin .beta.,.beta.-dimethylacrylate 3-Methyl-2-butenoic 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] 3-methylbut-2-enoate [1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate [1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] 3-methylbut-2-enoate |
| Wiley ID | 1354316 |