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Eurycomanol 2-O-β-D-glucopyranoside

CAT: 0931-TN7028-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7028-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126260-97-7
Target
Others, Parasite
Related Pathways
Microbiology/Virology, Others
Purity
0.9999
Bioactivity
Eurycomanol 2-O-β-D-glucopyranoside, a natural diterpenoid compound, is extracted from Tongkat Ali.
Smiles
O[C@]12[C@@]34[C@@]([C@]5(C)[C@@](C[C@]3(OC(=O)[C@@H]1O)[H])(C(C)=C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[H])([C@@](O)(OC4)[C@H](O)C2=C)[H]
Molecular Formula
C26H36O14
Molecular Weight
572.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Eurycomanol 2-O-|A-D-glucopyranoside

Eurycomanol 2-O-beta-D-glucopyranoside has been reported in Eurycoma longifolia with data available.

CAS Number126260-97-7
PubChem CID101637225
IUPAC Name(1R,4R,5R,7R,8R,11R,13S,16S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Molecular FormulaC26H36O14
Molecular Weight572.6
XLogP-4.7
Topological Polar Surface Area236
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity1140
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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI
InChI=1S/C26H36O14/c1-8-4-11(38-21-16(30)15(29)14(28)12(6-27)39-21)18(32)23(3)10(8)5-13-24-7-37-26(36,22(23)24)17(31)9(2)25(24,35)19(33)20(34)40-13/h4,10-19,21-22,27-33,35-36H,2,5-7H2,1,3H3/t10-,11-,12+,13+,14+,15-,16+,17+,18+,19-,21+,22+,23+,24+,25-,26-/m0/s1
InChIKey
XWUBEYICEUBFTO-ATAJOHBKSA-N
Chemical Structure
2D Structure
2D structure of Eurycomanol 2-O-|A-D-glucopyranoside
CAS: 126260-97-7
CID: 101637225
Formula: C26H36O14
MW: 572.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.6
XLogP3-4.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count3
Exact Mass572.21050582
Monoisotopic Mass572.21050582
Topological Polar Surface Area236 Ų
Heavy Atom Count40
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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