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13α (21) -Epoxyeurycomanone

CAT: 1407-AB3485Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB3485Size:10 mg
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CAS Number
138809-10-6
Purity
98% (HPLC)
Molecular Formula
C20H24O10
Molecular Weight
424.4

Chemical Information

(1R,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione

CID 13936703 has been reported in Eurycoma longifolia with data available.

CAS Number138809-10-6
PubChem CID13936703
IUPAC Name(1R,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione
Molecular FormulaC20H24O10
Molecular Weight424.4
XLogP-3.2
Topological Polar Surface Area166
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity933
SMILES
CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H]([C@@]6([C@@]4([C@H](C(=O)O3)O)O)CO6)O)(OC5)O)C)O
InChI
InChI=1S/C20H24O10/c1-7-3-9(21)11(22)16(2)8(7)4-10-17-5-29-19(26,14(16)17)15(25)18(6-28-18)20(17,27)12(23)13(24)30-10/h3,8,10-12,14-15,22-23,25-27H,4-6H2,1-2H3/t8-,10+,11+,12-,14+,15+,16+,17+,18+,19+,20-/m0/s1
InChIKey
MOCOVNGOINOTNW-NURDAXFGSA-N
Chemical Structure
2D Structure
2D structure of (1R,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione
CAS: 138809-10-6
CID: 13936703
Formula: C20H24O10
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP3-3.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass424.13694696
Monoisotopic Mass424.13694696
Topological Polar Surface Area166 Ų
Heavy Atom Count30
Formal Charge0
Complexity933
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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