Triptonodiol

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For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1678
CAS
117456-87-8
Product Name
Triptonodiol
Structure

Product Details

Description
Triptonodiol is a natural diterpenoid compound found in several plants.
Synonyms
(1S,4aS,10aR)-5-hydroxy-1-(hydroxymethyl)-7-isopropyl-8-methoxy-1,4a-dimethyl-3,4,4a,9,10,10a-hexahydrophenanthren-2(1H)-one
IUPAC Name
(1S,4aS,10aR)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Molecular Weight
346.46
Molecular Formula
C21H30O4
Canonical SMILES
CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)CO)C)O
InChI
InChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m1/s1
InChIKey
XGRBHDJWRPUKMD-TYCQWZJGSA-N
Boiling Point
529.6±50.0 °C(Predicted)
Purity
>95%
Density
1.1±0.1 g/cm3
Appearance
Powder
Color
Yellow
Form
Powder
Packaging
5 mg
pKa
10.62±0.60(Predicted)
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