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Cyphostemmin B

CAT: 0013-GTR19279416-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279416-02Size:10 mg
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Description
Cyphostemmin B is a natural product found in the plant known as.
CAS Number
220328-16-5
Smiles
C (=C/1\[C@@H] ([C@H] (C=2C1=CC (O) =CC2O) C3=CC=C (O) C=C3) C4=CC (O) =CC (O) =C4) \C5=CC=C (O) C=C5
Molecular Formula
C28H22O6
Molecular Weight
454.48
Notes
For research use only.

Chemical Information

parthenocissin A

parthenocissin A has been reported in Parthenocissus quinquefolia, Parthenocissus tricuspidata, and Cissus quadrangularis with data available.

CAS Number220328-16-5
PubChem CID15411553
IUPAC Name(1Z,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
Molecular FormulaC28H22O6
Molecular Weight454.5
XLogP4.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity700
SMILES
C1=CC(=CC=C1/C=C\2/[C@H]([C@@H](C3=C2C=C(C=C3O)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
InChI
InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9+/t26-,27+/m1/s1
InChIKey
BIQMSWPBPAKGSE-RVMRZQENSA-N
Chemical Structure
2D Structure
2D structure of parthenocissin A
CAS: 220328-16-5
CID: 15411553
Formula: C28H22O6
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP34.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass454.14163842
Monoisotopic Mass454.14163842
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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