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Garciniaxanthone E

CAT: 0127-BUP23101Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23101Size:1 mg
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CAS Number
173294-74-1
Purity
≥95%
Smiles
C (C=C (C) C) C1=C2C (OC=3C (C2=O) =C (O) C=C (O) C3) =C (O) C (O) =C1C/C=C (/CCC=C (C) C) C

Chemical Information

Garciniaxanthone E

CID 10457167 has been reported in Garcinia subelliptica, Garcinia dulcis, and Garcinia xanthochymus with data available.

CAS Number173294-74-1
PubChem CID10457167
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC28H32O6
Molecular Weight464.5
XLogP7.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity806
SMILES
CC(=CCC/C(=C/CC1=C(C2=C(C(=C1O)O)OC3=CC(=CC(=C3C2=O)O)O)CC=C(C)C)/C)C
InChI
InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-20-19(11-9-16(3)4)23-26(32)24-21(30)13-18(29)14-22(24)34-28(23)27(33)25(20)31/h7,9-10,13-14,29-31,33H,6,8,11-12H2,1-5H3/b17-10+
InChIKey
BRKFTRQHPIQVNO-LICLKQGHSA-N
Chemical Structure
2D Structure
2D structure of Garciniaxanthone E
CAS: 173294-74-1
CID: 10457167
Formula: C28H32O6
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP37.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass464.21988874
Monoisotopic Mass464.21988874
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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