Pseudolaric acid B-O-beta-D-glucopyranoside

Datasheet MSDS
Catalog Number
ANC01346
Product Name
Pseudolaric acid B-O-beta-D-glucopyranoside
Structure
Pseudolaric acid B-O-beta-D-glucopyranoside
CAS Number
98891-41-9
IUPAC Name
methyl (1R,7S,8S,9R)-7-acetyloxy-9-methyl-9-[(1E,3E)-4-methyl-5-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate
Synonyms
PseudolaricacidB-glucopyranoside; PseudolaricacidBbeta-D-glucoside
Molecular Formula
C29H38O13
Molecular Weight
594.6
Appearance
Powder
Purity
>98%
Density
1.42±0.1g/cm3
SMILES
C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C29H38O13/c1-15(23(35)40-25-22(34)21(33)20(32)18(14-30)39-25)6-5-10-27(3)19-9-12-28(26(37)42-27)11-7-17(24(36)38-4)8-13-29(19,28)41-16(2)31/h5-7,10,18-22,25,30,32-34H,8-9,11-14H2,1-4H3/b10-5+,15-6+/t18-,19+,20-,21+,22-,25+,27-,28-,29+/m1/s1
InChI Key
UUDZDKPKXAEKLA-YHLOYHKPSA-N
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