12-O-Methylcarnosic acid

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For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1358
CAS
62201-71-2
Product Name
12-O-Methylcarnosic acid
Structure
Structure

Product Details

Description
12-O-Methylcarnosic acid is a natural diterpenoid compound found in several plants.
Synonyms
Carnosic acid 12-methyl ether;12-Methoxycarnosic acid
IUPAC Name
(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Molecular Weight
346.461
Molecular Formula
C21H30O4
Canonical SMILES
CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC
InChI
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
Boiling Point
505.1±50.0 °C(Predicted)
Purity
>98%
Density
1.1±0.1 g/cm3
Appearance
Powder
Storage
-20°C
Form
Powder
Hazard Class
Xn,N
MDL
MFCD24849312
NACRES
NA.25
pKa
4.12±0.40(Predicted)
RIDADR
UN 3077 9 / PGIII
Risk Statements
22-50
Safety Statements
61
WGK Germany
3
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