Quinovic acid 3-O-glucoside

For Research Use Only.
Category
Terpenes
Cat.No.
NP6890
CAS
79955-41-2
Product Name
Quinovic acid 3-O-glucoside
Structure

Product Details

Description
Quinovic acid 3-O-glucoside is isolated from the herbs of Luculia pincia.
Synonyms
Quinovic acid 3-O-beta-D-glucoside;Quinovic acid 3-O-glucoside
IUPAC Name
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
Molecular Weight
648.8
Molecular Formula
C36H56O10
Canonical SMILES
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1C)C(=O)O)C(=O)O
InChI
InChI=1S/C36H56O10/c1-18-9-14-35(30(41)42)15-16-36(31(43)44)20(25(35)19(18)2)7-8-23-33(5)12-11-24(32(3,4)22(33)10-13-34(23,36)6)46-29-28(40)27(39)26(38)21(17-37)45-29/h7,18-19,21-29,37-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1
InChIKey
AXNXSFBKZQIMPF-ZZZTYRQWSA-N
Boiling Point
787.8±60.0 °C(Predicted)
Melting Point
245-247 °C
Purity
0.93
Density
1.31±0.1 g/cm3(Predicted)
Appearance
Powder
pKa
4.25±0.70(Predicted)
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