Ikshusterol 3-O-glucoside

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For Research Use Only.
Category
Steroids
Cat.No.
NP6038
CAS
112137-81-2
Product Name
Ikshusterol 3-O-glucoside
Structure
Structure

Product Details

Description
Ikshusterol 3-O-glucoside is a natural plant steroid isolated from the herbs of Urtica dioica.
Synonyms
(3β,7α,20R)-7-Hydroxystigmast-5-en-3-yl β-D-glucopyranoside
IUPAC Name
(2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight
592.9
Molecular Formula
C35H60O7
Canonical SMILES
CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)C(C)C
InChI
InChI=1S/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey
CPVAKQVYNLPUBL-MSLCHGNTSA-N
Boiling Point
704.8±60.0 °C(Predicted)
Purity
>95%
Density
1.17±0.1 g/cm3(Predicted)
Appearance
Powder
pKa
12.91±0.70(Predicted)
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