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Tetrahydroswertianolin

CAT: 1407-AB0090Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB0090Size:20 mg
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CAS Number
189289-76-7
Purity
98% (HPLC)
Molecular Formula
C20H24O11
Molecular Weight
440.4

Chemical Information

Tetrahydroswertianolin

Tetrahydroswertianolin is a xanthone glycoside that is the 1,2,3,4-tetrahydro derivaive of swertianolin (the S,4R-stereoisomer). It is isolated from Swertia japonica and shows hepatoprotective properties. It has a role as a hepatoprotective agent and a plant metabolite. It is a beta-D-glucoside, an aromatic ether, a monosaccharide derivative and a xanthone glycoside. It is functionally related to a swertianolin.

CAS Number189289-76-7
PubChem CID10343169
IUPAC Name(1S,4R)-4,8-dihydroxy-6-methoxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydroxanthen-9-one
Molecular FormulaC20H24O11
Molecular Weight440.4
XLogP-1.1
Topological Polar Surface Area175
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
COC1=CC(=C2C(=C1)OC3=C(C2=O)[C@H](CC[C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C20H24O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h4-5,8,10,12,15,17-18,20-24,26-27H,2-3,6H2,1H3/t8-,10+,12-,15-,17+,18-,20-/m1/s1
InChIKey
FOVMRYXSQHNGSU-GSCMKZIOSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydroswertianolin
CAS: 189289-76-7
CID: 10343169
Formula: C20H24O11
MW: 440.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.4
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass440.13186158
Monoisotopic Mass440.13186158
Topological Polar Surface Area175 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN8613-01Tetrahydroswertianolin

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