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8-Debenzoylpaeoniflorin

CAT: 0013-GTR19182977Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182977Size:5 mg
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Description
8-Debenzoylpaeoniflorin is a monoterpene glycoside natural product derived from plants such as Paeonia lactiflora. It is utilized in pharmacological research for its anti-inflammatory and neuroprotective properties, as investigated in both cellular and animal models of disease.
CAS Number
23532-11-8
Smiles
C[C@@]12C[C@@]3 (O) O[C@@H] (O1) [C@]1 (CO) [C@H]3C[C@]21O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C16H24O10
Molecular Weight
376.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Debenzoylpaeoniflorin

8-Debenzoylpaeoniflorin has been reported in Ducrosia anethifolia, Paeonia suffruticosa, and Paeonia lactiflora with data available.

CAS Number23532-11-8
PubChem CID71452333
IUPAC Name(2S,3R,4S,5S,6R)-2-[[(1R,2S,3R,5R,6R,8S)-6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC16H24O10
Molecular Weight376.36
XLogP-3.3
Topological Polar Surface Area158
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity632
SMILES
C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI
InChI=1S/C16H24O10/c1-13-4-15(22)7-2-16(13,14(7,5-18)12(25-13)26-15)24-11-10(21)9(20)8(19)6(3-17)23-11/h6-12,17-22H,2-5H2,1H3/t6-,7-,8-,9+,10-,11+,12-,13+,14+,15-,16+/m1/s1
InChIKey
LTXNSYGCFNCQRW-DKCIEBLWSA-N
Chemical Structure
2D Structure
2D structure of 8-Debenzoylpaeoniflorin
CAS: 23532-11-8
CID: 71452333
Formula: C16H24O10
MW: 376.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight376.36
XLogP3-3.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass376.13694696
Monoisotopic Mass376.13694696
Topological Polar Surface Area158 Ų
Heavy Atom Count26
Formal Charge0
Complexity632
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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