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Beta-Oxoacteoside

CAT: 0013-GTR19236876-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236876-02Size:100 mg
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Description
The herbs of Cistanche deserticola.
CAS Number
149507-92-6
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C29H34O16
Molecular Weight
638.6
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

beta-Oxoacteoside

beta-Oxoacteoside has been reported in Plantago depressa and Olea europaea with data available.

CAS Number149507-92-6
PubChem CID90470164
IUPAC Name[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-oxoethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC29H34O16
Molecular Weight638.6
XLogP-1
Topological Polar Surface Area262
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1010
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCC(=O)C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C29H34O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,20,22-34,37-40H,10-11H2,1H3/b7-3+/t12-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
InChIKey
QKMLPSOMRMIAPR-RBGAWHCWSA-N
Chemical Structure
2D Structure
2D structure of beta-Oxoacteoside
CAS: 149507-92-6
CID: 90470164
Formula: C29H34O16
MW: 638.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.6
XLogP3-1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass638.18468499
Monoisotopic Mass638.18468499
Topological Polar Surface Area262 Ų
Heavy Atom Count45
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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