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Wikstrol B

CAT: 0931-T125692-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125692-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160963-92-8
Target
Others
Related Pathways
Others
Bioactivity
Wikstrol B is a natural product that can be used as a reference standard. The CAS number of Wikstrol B is 160963-92-8.
Smiles
O[C@H]1Cc2c(O)cc(O)c(c2O[C@@H]1c1ccc(O)cc1)-c1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
Molecular Formula
C30H22O10
Molecular Weight
542.496
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Wikstrol A

Wikstrol A has been reported in Stellera chamaejasme, Daphne feddei, and Wikstroemia indica with data available.

CAS Number160963-92-8
PubChem CID5481857
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]chromen-4-one
Molecular FormulaC30H22O10
Molecular Weight542.5
XLogP4.2
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity954
SMILES
C1[C@@H]([C@H](OC2=C1C(=CC(=C2C3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)C6=CC=C(C=C6)O)O
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-21(36)25(30(18)40-28)26-27(38)24-20(35)9-17(33)10-23(24)39-29(26)14-3-7-16(32)8-4-14/h1-10,12,22,28,31-37H,11H2/t22-,28+/m0/s1
InChIKey
SRCSHETVEHQXLC-RBISFHTESA-N
Chemical Structure
2D Structure
2D structure of Wikstrol A
CAS: 160963-92-8
CID: 5481857
Formula: C30H22O10
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP34.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass542.12129689
Monoisotopic Mass542.12129689
Topological Polar Surface Area177 Ų
Heavy Atom Count40
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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