6β-Hydroxypaniculoside III

For Research Use Only.
Category
Terpenes
Cat.No.
NP1237
CAS
81263-97-0
Product Name
6β-Hydroxypaniculoside III
Structure

Product Details

Description
6β-Hydroxypaniculoside III is isolated from the herbs of Pteris semipinnata.
Synonyms
ent-6,11-Dihydroxy-15-oxo-16-kauren -19-oic acid beta-D-glucopyrasyl ester; 1-O-[(5β,6β,8α,9β,10α,11β,13α)-6,11-Dihydroxy-15,18-dioxokaur-16- en-18-yl]-β-D-glucopyranose
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,3R,4S,5R,9S,10S,11S,13S)-3,11-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Molecular Weight
510.6
Molecular Formula
C26H38O10
Canonical SMILES
CC12CCCC(C1C(CC34C2C(CC(C3)C(=C)C4=O)O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O
InChI
InChI=1S/C26H38O10/c1-11-12-7-13(28)20-24(2)5-4-6-25(3,19(24)14(29)9-26(20,8-12)21(11)33)23(34)36-22-18(32)17(31)16(30)15(10-27)35-22/h12-20,22,27-32H,1,4-10H2,2-3H3/t12-,13+,14-,15-,16-,17+,18-,19+,20+,22+,24-,25-,26+/m1/s1
InChIKey
OIMCIPSRGXJJFP-OHHFPUJUSA-N
Boiling Point
713.4±60.0 °C(Predicted)
Purity
> 95%
Density
1.44±0.1 g/cm3(Predicted)
Appearance
Cryst.
Form
Powder
Packaging
5 mg
pKa
12.51±0.70(Predicted)
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