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Oroxin B

CAT: 0013-GTR19160026-06Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160026-06Size:10 mg
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Description
Oroxin B has antioxidant activity.
CAS Number
114482-86-9
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (168.20 mM)
Smiles
C1 (cc (=O) c2c (c (c (cc2o1) O[C@@H]1O[C@@H] ([C@H] ([C@@H] ([C@H]1O) O) O) CO[C@@H]1O[C@@H] ([C@H] ([C@@H] ([C@H]1O) O) O) CO) O) O) c1ccccc1
Molecular Formula
C27H30O15
Molecular Weight
594.52
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Baicalein 7-O-diglucoside
CAS Number114482-86-9
PubChem CID10077207
IUPAC Name5,6-dihydroxy-2-phenyl-7-[(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]oxychromen-4-one
Molecular FormulaC27H30O15
Molecular Weight594.5
XLogP-1.3
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity958
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[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)O)O
InChI
InChI=1S/C27H30O15/c28-8-15-19(31)22(34)24(36)26(41-15)38-9-16-20(32)23(35)25(37)27(42-16)40-14-7-13-17(21(33)18(14)30)11(29)6-12(39-13)10-4-2-1-3-5-10/h1-7,15-16,19-20,22-28,30-37H,8-9H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey
HAYLVXFWJCKKDW-IJTBWITGSA-N
Chemical Structure
2D Structure
2D structure of Baicalein 7-O-diglucoside
CAS: 114482-86-9
CID: 10077207
Formula: C27H30O15
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP3-1.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass594.15847025
Monoisotopic Mass594.15847025
Topological Polar Surface Area245 Ų
Heavy Atom Count42
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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