3α,30-Diacetyloxy-12α-hydroxy-23-oxoeupha-7,24-dien-21,16β-olid-28-oic acid 28-O-β-D-glucopyranosyl ester

For Research Use Only.
Category
Triterpenoids
Cat.No.
NP7203
CAS
215160-96-6
Product Name
3α,30-Diacetyloxy-12α-hydroxy-23-oxoeupha-7,24-dien-21,16β-olid-28-oic acid 28-O-β-D-glucopyranosyl ester
Structure

Product Details

Description
3α,30-Diacetyloxy-12α-hydroxy-23-oxoeupha-7,24-dien-21,16β-olid-28-oic acid 28-O-β-D-glucopyranosyl ester is a natural compound used in the research of various diseases such as tumors, viral infections and inflammatory disorders. This natural compound demonstrates potential anti-inflammatory, anticancer and antiviral activities. Its glucosyl ester form enhances its solubility and bioavailability, making it an effective candidate for targeted drug delivery.
Synonyms
CHEMBL449122; BDBM50269529; AKOS040763071; (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-1(20)-ene-17-carboxylate; 215160-96-6; 3??,30-Diacetoxy-12??-hydroxy-23-oxoeupha-7,24-dien-21,16??-olid-28-oic acid 28-O-??-D-glucopyranosyl ester
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-enyl)-6-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-17-carboxylate
Molecular Weight
776.876
Molecular Formula
C40H56O15
Canonical SMILES
CC(=CC(=O)CC1C2C(CC3(C2(C(CC4C3=CCC5C4(CCC(C5(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C)C)O)C)COC(=O)C)OC1=O)C
InChI
InChI=1S/C40H56O15/c1-18(2)12-21(44)13-22-30-25(53-34(22)49)15-40(17-51-19(3)42)23-8-9-27-37(5,24(23)14-28(45)39(30,40)7)11-10-29(52-20(4)43)38(27,6)36(50)55-35-33(48)32(47)31(46)26(16-41)54-35/h8,12,22,24-33,35,41,45-48H,9-11,13-17H2,1-7H3/t22-,24+,25+,26-,27-,28+,29-,30-,31-,32+,33-,35+,37-,38+,39+,40+/m1/s1
InChIKey
CNBPSPDNZJNBAZ-RWOCPONYSA-N
Purity
98.0%
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