Hythiemoside A

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1453
CAS
853267-91-1
Product Name
Hythiemoside A
Structure

Product Details

Description
Hythiemoside A isolated from the herb of Siegesbeckia orientalis.
Synonyms
(3α,5β,9β,10α,13α,15R)-3-(β-D-Glucopyranosyloxy)-15-hydroxypimar- 8(14)-en-16-yl acetate
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-hydroxyethyl] acetate
Molecular Weight
526.7
Molecular Formula
C28H46O9
Canonical SMILES
CC(=O)OCC(C1(CCC2C(=C1)CCC3C2(CCC(C3(C)C)OC4C(C(C(C(O4)CO)O)O)O)C)C)O
InChI
InChI=1S/C28H46O9/c1-15(30)35-14-20(31)27(4)10-8-17-16(12-27)6-7-19-26(2,3)21(9-11-28(17,19)5)37-25-24(34)23(33)22(32)18(13-29)36-25/h12,17-25,29,31-34H,6-11,13-14H2,1-5H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,27+,28+/m1/s1
InChIKey
ITRHSIFUIWDEGO-CHUAXZJFSA-N
Boiling Point
681.4±55.0 °C(Predicted)
Purity
0.985
Density
1.27±0.1 g/cm3(Predicted)
Appearance
Powder
Form
Powder
Packaging
1 mg
pKa
12.91±0.70(Predicted)
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