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Etuycomanol

CAT: 0013-GTR19260149-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260149-04Size:10 mg
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Description
Etuycomanol
CAS Number
84633-28-3
Purity
>98% (HPLC)
Molecular Formula
C20H26O9
Molecular Weight
410.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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

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CatalogName
M39236-01Etuycomanol

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