Itol A

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1231
CAS
1033747-78-2
Product Name
Itol A
Structure

Product Details

Description
Itol A is a natural diterpenoid found in the herbs of Geranium wilfordii.
Synonyms
20-Deoxyitol B
IUPAC Name
(1R,2S,3R,6R,7R,9S,10S,11S,12R,13R,14S)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,11,12,14-pentol
Molecular Weight
368.5
Molecular Formula
C20H32O6
Canonical SMILES
CC1CCC2(C1C3C4(C5C2(CC(C4(C(C5O)(C(C)C)O)C)(O3)O)C)O)O
InChI
InChI=1S/C20H32O6/c1-9(2)19(24)13(21)12-15(4)8-18(23)16(19,5)20(12,25)14(26-18)11-10(3)6-7-17(11,15)22/h9-14,21-25H,6-8H2,1-5H3/t10-,11+,12+,13-,14-,15-,16+,17-,18+,19-,20-/m1/s1
InChIKey
HMPXQDVZEWENGB-FATXEXJGSA-N
Boiling Point
524.9±50.0 °C(Predicted)
Purity
>98%
Density
1.471±0.06 g/cm3(Predicted)
Appearance
Powder
Form
Powder
Packaging
5 mg
pKa
11.73±0.70(Predicted)
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