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Graciliflorin E

CAT: 1410-M39278-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Graciliflorin E
CAS Number
1413941-66-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
344.5
Molecular Formula
C21H28O4
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Graciliflorin E
CAS Number1413941-66-8
PubChem CID102194914
IUPAC Name(4aR)-6,10-dihydroxy-7-(2-methoxypropan-2-yl)-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
Molecular FormulaC21H28O4
Molecular Weight344.4
XLogP4.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity603
SMILES
C[C@]12CCCC(C1=C(C(=O)C3=CC(=C(C=C23)O)C(C)(C)OC)O)(C)C
InChI
InChI=1S/C21H28O4/c1-19(2)8-7-9-21(5)13-11-15(22)14(20(3,4)25-6)10-12(13)16(23)17(24)18(19)21/h10-11,22,24H,7-9H2,1-6H3/t21-/m1/s1
InChIKey
CCHPHGUADUNKLZ-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Graciliflorin E
CAS: 1413941-66-8
CID: 102194914
Formula: C21H28O4
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass344.19875937
Monoisotopic Mass344.19875937
Topological Polar Surface Area66.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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