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Orchioside B

CAT: 0013-GTR19242811-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242811-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Orchioside B is a natural product for life science research. It has demonstrated anti-inflammatory and antioxidant activities in vitro, making it a candidate for investigating related cellular mechanisms and potential therapeutic applications.
CAS Number
851780-22-8
Smiles
C (CC (=O) C1=CC=C (O) C=C1) [C@@H]2[C@H] (O[C@]3 ([C@] (O2) (O[C@H] (CO) [C@@H] (O) [C@@H]3O) [H]) [H]) C4=CC (O) =C (O) C=C4
Molecular Formula
C23H26O10
Molecular Weight
462.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Orchioside B

Orchioside B has been reported in Curculigo orchioides with data available.

CAS Number851780-22-8
PubChem CID21580519
IUPAC Name3-[(2R,3R,4aR,6R,7S,8S,8aR)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-3-yl]-1-(4-hydroxyphenyl)propan-1-one
Molecular FormulaC23H26O10
Molecular Weight462.4
XLogP0.5
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity653
SMILES
C1=CC(=CC=C1C(=O)CC[C@@H]2[C@H](O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O2)CO)O)O)C4=CC(=C(C=C4)O)O)O
InChI
InChI=1S/C23H26O10/c24-10-18-19(29)20(30)22-23(32-18)31-17(8-7-14(26)11-1-4-13(25)5-2-11)21(33-22)12-3-6-15(27)16(28)9-12/h1-6,9,17-25,27-30H,7-8,10H2/t17-,18-,19-,20+,21-,22-,23-/m1/s1
InChIKey
BKMXEFFHCRGVDW-CARAORCDSA-N
Chemical Structure
2D Structure
2D structure of Orchioside B
CAS: 851780-22-8
CID: 21580519
Formula: C23H26O10
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass462.15259702
Monoisotopic Mass462.15259702
Topological Polar Surface Area166 Ų
Heavy Atom Count33
Formal Charge0
Complexity653
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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