7-O-Methylrosmanol

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1624
CAS
113085-62-4
Product Name
7-O-Methylrosmanol
Structure

Product Details

Description
7-O-Methylrosmanol is a natural diterpenoid compound found in several plants.
Synonyms
7alpha-Methoxyrosmanol; 7-Methylrosmanol
IUPAC Name
(1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Molecular Weight
360.444
Molecular Formula
C21H28O5
Canonical SMILES
CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)OC)O)O
InChI
InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1
InChIKey
XNPVHIQPSAZTLC-NYUBLWNDSA-N
Boiling Point
542.3±50.0 °C(Predicted)
Purity
>97%
Density
1.3±0.1 g/cm3
Appearance
Powder
Storage
-20°C
Form
Powder
Hazard Class
N
Packaging
5 mg
pKa
9.02±0.60(Predicted)
RIDADR
UN 3077 9 / PGIII
Risk Statements
50
Safety Statements
61
WGK Germany
3
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