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Eleuthoside B

CAT: 0013-GTR19277787-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277787-02Size:2 mg
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Description
Eleuthoside B is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
194851-33-7
Smiles
COC1=C2C (=CC=C1) C=C1C (=O) OC (C) C1=C2O[C@@H]1O[C@H] (CO[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C26H32O14
Molecular Weight
568.53
Notes
For research use only.

Chemical Information

Eleuthoside B

Eleuthoside B has been reported in Eleutherine bulbosa, Sisyrinchium palmifolium, and Parasphaerasclera aurea with data available.

CAS Number194851-33-7
PubChem CID95224384
IUPAC Name(3R)-5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
Molecular FormulaC26H32O14
Molecular Weight568.5
XLogP-1.3
Topological Polar Surface Area214
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity876
SMILES
C[C@@H]1C2=C(C=C3C=CC=C(C3=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)OC)C(=O)O1
InChI
InChI=1S/C26H32O14/c1-9-15-11(24(34)37-9)6-10-4-3-5-12(35-2)16(10)23(15)40-26-22(33)20(31)18(29)14(39-26)8-36-25-21(32)19(30)17(28)13(7-27)38-25/h3-6,9,13-14,17-22,25-33H,7-8H2,1-2H3/t9-,13-,14-,17-,18-,19+,20+,21-,22-,25-,26+/m1/s1
InChIKey
PAEOIXITAYMQRF-ZAEQARNUSA-N
Chemical Structure
2D Structure
2D structure of Eleuthoside B
CAS: 194851-33-7
CID: 95224384
Formula: C26H32O14
MW: 568.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.5
XLogP3-1.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass568.17920569
Monoisotopic Mass568.17920569
Topological Polar Surface Area214 Ų
Heavy Atom Count40
Formal Charge0
Complexity876
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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