15,16-Di-O-acetyldarutoside

For Research Use Only.
Category
Terpenes
Cat.No.
NP1396
CAS
1188282-02-1
Product Name
15,16-Di-O-acetyldarutoside
Structure

Product Details

Description
15,16-Di-O-acetyldarutoside is isolated from the herbs of Siegesbeckia orientalis.
Synonyms
15,16-Di-O-acetyldarutoside1; 188282-02-1; [(2R)-2-[(2S,4aR,4bS,7R,8aS)-2,4b,8,8-tetramethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-acetyloxyethyl] acetate; HY-N1496; C30H48O10
IUPAC Name
[(2R)-2-[(2S,4aR,4bS,7R,8aS)-2,4b,8,8-tetramethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-acetyloxyethyl] acetate
Molecular Weight
568.7
Molecular Formula
C30H48O10
Canonical SMILES
CC(=O)OCC(C1(CCC2C(=C1)CCC3C2(CCC(C3(C)C)OC4C(C(C(C(O4)CO)O)O)O)C)C)OC(=O)C
InChI
InChI=1S/C30H48O10/c1-16(32)37-15-23(38-17(2)33)29(5)11-9-19-18(13-29)7-8-21-28(3,4)22(10-12-30(19,21)6)40-27-26(36)25(35)24(34)20(14-31)39-27/h13,19-27,31,34-36H,7-12,14-15H2,1-6H3/t19-,20-,21-,22-,23+,24-,25+,26-,27+,29+,30+/m1/s1
InChIKey
AALUKTCMUIGJEG-PECRXMDHSA-N
Boiling Point
672.5±55.0 °C(Predicted)
Purity
98%
Density
1.26±0.1 g/cm3(Predicted)
Appearance
Powder
Form
Powder
Packaging
1 mg
pKa
12.91±0.70(Predicted)
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