Grundinformationen
- Standard-SMILES
CC(C)=CCC(OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O- InChIKey
BATBOVZTQBLKIL-UHFFFAOYSA-N- Summenformel
- C21H22O6
- Durchschnittliche Molmasse
- 370,4 g/mol
- Monoisotopische Masse
- 370,14163842
Überblick
Dmask has been reported in Arnebia hispidissima with data available.
Namen und Bezeichner
- Bevorzugter Name
- Arnebin I
- IUPAC
- [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate
- Englischer Name
- beta, beta-dimethylacrylshikonin
- Summenformel
- C21H22O6
- Molmasse
- 370.4
Namen und Synonyme
5162-01-6Beta, beta-dimethylacrylshikoninArnebin IRefChem:119136Dmask(Rac)-Arnebin 1(beta,beta-Dimethylacryl)shikoninArnebin 1[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoateNSC14037723444-70-42-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (+)-
Weitere Namen anzeigen
Arnebin 1 (Standard)Dimethylacrylalkannin, β,β-(Rac)-Arnebin 1, 10 mM in DMSOAlkannin beta,beta-dimethylacrylate(Rac)-Arnebin 1 ((Rac)-β,β-Dimethylacrylalkannin)Crotonic acid, 3-methyl-, ester with 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
Alkanin,.beta.-dimethylacrylateorb1222465orb1222951orb1302734orb3139350SCHEMBL4279672CHEMBL2002642SCHEMBL29391875
Datenbank-Bezeichner
- CAS
23444-70-4、24502-79-2、5162-01-6- PubChem CID
- 32465
- DTXSID
DTXSID10947396- ChEMBL
CHEMBL2002642- Nikkaji
- J256.532C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 706
Physikochemische Eigenschaften
- Aggregatzustand
- Solid
- Farbe
- Light brown to brown
Chemie und Industrie
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