12-Methoxycarnosic Acid
Grundinformationen
- CAS
62201-71-2- Standard-SMILES
COc1c(C(C)C)cc2c(c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2- InChIKey
QQNSARJGBPMQDI-YCRPNKLZSA-N- Summenformel
- C21H30O4
- Durchschnittliche Molmasse
- 346,5 g/mol
- Monoisotopische Masse
- 346,21440943
Überblick
12-O-Methylcarnosic acid has been reported in Salvia officinalis, Thymus, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- 12-Methoxycarnosic Acid
- IUPAC
- (4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
- Englischer Name
- 12-O-Methylcarnosic acid
- Summenformel
- C21H30O4
- Molmasse
- 346.46
Namen und Synonyme
12-Methoxycarnosic acid(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acidRefChem:1057430(4aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid12-O-Methylcarnosic acid62201-71-2(4aR,10aS)-5-hydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-1,3,4,9,10,10a-hexahydrophenanthrene-4a(2H)-carboxylic acidorb1219510orb1297143orb3139104SCHEMBL9923660CHEMBL1096627
Weitere Namen anzeigen
Carnosic acid 12-methyl ether12-methylcarnosic acid12-O-Methylcarnosic acid-RM12-O-Methylcarnosic acid, 10 mM in DMSO12-Methoxycarnosic acid >=95% (LC/MS-ELSD)(4aR,10aS)-5-hydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-1,3,4,9,10,10a-hexahydrophenanthrene-4a(2H)-carboxylicaci
SCHEMBL29405917HY-N7510RHY-N7510TN260112-O-Methylcarnosic acid (Standard)AKOS040760925EBC-615677(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 514
Physikochemische Eigenschaften
- Siedepunkt
- 505.1 · 505.1±50.0 °C(Predicted)
- Dichte
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 50 mg/mL · DMSO : 50 mg/mL (144.32 mM; Need ultrasonic)
- Aggregatzustand
- A solid
- pka
- 4.12 · 4.12±0.40(Predicted)
- Farbe
- White to yellow
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChI
- 1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1
- InChIKey
- QQNSARJGBPMQDI-YCRPNKLZSA-N
- SMILES
- COc1c(O)c2c(CC[C@H]3C(C)(C)CCC[C@]23C(O)=O)cc1C(C)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-50
- hazard_code
- Xn,N
- safety_code
- 61
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden12-O-Methylcarnosic Acid is a metabolite of Carnosic Acid (C184180), a phenolic component of rosemary. It acts as a potent antioxdant and also has UV protective activity. Specifically protection for UV-A radiation and damage.
Anbieter65 Anbieter
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…