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

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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