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Trifolirhizin

CAT: 0926-FT65534-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FT65534-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6807-83-6
MDL Number
MFCD00238700
Smiles
C1[C@@H]2[C@H] (C3=C (O1) C=C (C=C3) O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) CO) O) O) O) OC5=CC6=C (C=C25) OCO6
Molecular Formula
C22H22O10
Molecular Weight
446.4 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Trifolirhizin

Trifolirhizin is a member of pterocarpans.

CAS Number6807-83-6
PubChem CID442827
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol
Molecular FormulaC22H22O10
Molecular Weight446.4
XLogP0.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity679
SMILES
C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
InChI
InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
InChIKey
VGSYCWGXBYZLLE-QEEQPWONSA-N
Chemical Structure
2D Structure
2D structure of Trifolirhizin
CAS: 6807-83-6
CID: 442827
Formula: C22H22O10
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass446.12129689
Monoisotopic Mass446.12129689
Topological Polar Surface Area136 Ų
Heavy Atom Count32
Formal Charge0
Complexity679
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
TB0441Trifolirhizin
A14608-100Trifolirhizin 100mg
HY-N0616RTrifolirhizin (Standard)
A14608-5Trifolirhizin 5mg
A14608-50Trifolirhizin 50mg
A14608-1Trifolirhizin 1mg
A14608-500Trifolirhizin 500mg
A14608-25Trifolirhizin 25mg
A14608-10Trifolirhizin 10mg
N1959-20Trifolirhizin;(-)-Maackiain-3-O-glucoside

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