Tectoroside

For Research Use Only.
Category
Sesquiterpene
Cat.No.
NP5657
CAS
124960-89-0
Product Name
Tectoroside
Structure

Product Details

Description
Tectoroside is a natural sesquiterpene compound found in several plants.
Synonyms
(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylene-2-oxo-8-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)dodecahydroazuleno[4,5-b]furan-4-yl 2-hydroxy-3-(4-hydroxyphenyl)propanoate
IUPAC Name
[3,6,9-trimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-hydroxy-3-(4-hydroxyphenyl)propanoate
Molecular Weight
588.6
Molecular Formula
C30H36O12
Canonical SMILES
C=C1CC(C2C(C3C1CC(C3=C)OC4C(C(C(C(O4)CO)O)O)O)OC(=O)C2=C)OC(=O)C(CC5=CC=C(C=C5)O)O
InChI
InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2
InChIKey
MAHPANYZARJSAV-UHFFFAOYSA-N
Boiling Point
853.7±65.0 °C(Predicted)
Purity
>98%
Density
1.47±0.1 g/cm3(Predicted)
Appearance
Powder
pKa
9.77±0.15(Predicted)
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