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Etuycomanol

CAT: 1410-M39236-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Etuycomanol
CAS Number
84633-28-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
410.4
Molecular Formula
C20H26O9
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Eurycomanol

Eurycomanol has been reported in Eurycoma longifolia with data available.

CAS Number84633-28-3
PubChem CID14396865
IUPAC Name(1R,4R,5R,7R,8R,11R,13S,16S,17S,18S,19R)-4,5,7,8,16,17-hexahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Molecular FormulaC20H26O9
Molecular Weight410.4
XLogP-3.1
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity855
SMILES
CC1=C[C@@H]([C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@]4([C@H](C(=O)O3)O)O)O)(OC5)O)C)O)O
InChI
InChI=1S/C20H26O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9-14,16,21-24,26-27H,2,5-6H2,1,3H3/t9-,10-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1
InChIKey
QPHFGJSVJHRLFM-KKSWBDSZSA-N
Chemical Structure
2D Structure
2D structure of Eurycomanol
CAS: 84633-28-3
CID: 14396865
Formula: C20H26O9
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP3-3.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass410.15768240
Monoisotopic Mass410.15768240
Topological Polar Surface Area157 Ų
Heavy Atom Count29
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19269314Etuycomanol

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