(3As,4r,7r,7ar)-9,9-dimethyl-3-methylidene-2-oxooctahydro-3a,7-ethanoindene-4-carboxylic acid
Grundinformationen
- CAS
83058-94-0- Standard-SMILES
C=C1C(=O)C[C@@H]2[C@@H]3CC[C@@H](C(=O)O)[C@@]12C(C)(C)C3- InChIKey
NFDGWNUTVNONNC-RSQPEXBXSA-N- Summenformel
- C15H20O3
- Durchschnittliche Molmasse
- 248,32 g/mol
- Monoisotopische Masse
- 248,1412445
Überblick
9,9-Dimethyl-3-methylidene-2-oxooctahydro-3a,7-ethanoindene-4-carboxylic acid has been reported in Aspergillus terreus with data available.
Namen und Bezeichner
- Bevorzugter Name
- (3As,4r,7r,7ar)-9,9-dimethyl-3-methylidene-2-oxooctahydro-3a,7-ethanoindene-4-carboxylic acid
- IUPAC
- (1S,5R,6R,9R)-10,10-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
- Englischer Name
- Terrecyclic acid A
- Summenformel
- C15H20O3
- Molmasse
- 248.32
Namen und Synonyme
(3as,4r,7r,7ar)-9,9-dimethyl-3-methylidene-2-oxooctahydro-3a,7-ethanoindene-4-carboxylic acidDTXSID5010031019,9-Dimethyl-3-methylidene-2-oxooctahydro-3a,7-ethanoindene-4-carboxylic acidTerrecyclic acidTerrecyclic acid ATERRECYCLIC ACID,>95% BY HPLC1,3,4-oxadiazol-2-ol, 5-(2-benzoxazolyl)-(3aS,7aα)-Octahydro-8,8-dimethyl-3-methylene-2-oxo-3aβ,7β-ethano-3aH-indene-4α-carboxylic acid3a,7-Ethano-3aH-indene-4-carboxylic acid, octahydro-8,8-dimethyl-3-methylene-2-oxo-, (3aS,4R,7R,7aR)-
Datenbank-Bezeichner
- CAS
83058-94-0- PubChem CID
- 128477
- DTXSID
DTXSID501003101
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 462
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-124 °C
- Siedepunkt
- 413.37 · 413.370±24.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.188 · 1.188±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- A solid
- pka
- 4.327 · 4.327±0.40(predicted)
Chemie und Industrie
Anwendungen
VerwendenTerrecyclic acid is a sesquiterpene metabolite produced by Aspergillus terreus, first reported by researchers at the Universities of Osaka and Tokyo in 1982. Terrecyclic acid possesses broad spectrum antimicrobial and antitumor activity. Terrecyclic acid induces the heat shock protein response and affects oxidative and inflammatory cellular stress response pathways. No studies of the mode of action of terrecyclic acid have been published.
Anbieter14 Anbieter
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…