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Citrusarin A

CAT: 0931-T125935-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125935-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139726-52-6
Target
Others
Related Pathways
Others
Bioactivity
Citrusarin A is a natural product that can be used as a reference standard. The CAS number of Citrusarin A is 139726-52-6.
Smiles
CC1Oc2c(c3oc(=O)ccc3c3OC(C)(C)C=Cc23)C1(C)C
Molecular Formula
C19H20O4
Molecular Weight
312.365
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Citrusarin A
CAS Number139726-52-6
PubChem CID15108309
IUPAC Name4,5,5,15,15-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12),10,16-pentaen-9-one
Molecular FormulaC19H20O4
Molecular Weight312.4
XLogP4.1
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity588
SMILES
CC1C(C2=C(O1)C3=C(C4=C2OC(=O)C=C4)OC(C=C3)(C)C)(C)C
InChI
InChI=1S/C19H20O4/c1-10-19(4,5)14-16(21-10)12-8-9-18(2,3)23-15(12)11-6-7-13(20)22-17(11)14/h6-10H,1-5H3
InChIKey
AOIFNIMKVOPLGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Citrusarin A
CAS: 139726-52-6
CID: 15108309
Formula: C19H20O4
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass312.13615911
Monoisotopic Mass312.13615911
Topological Polar Surface Area44.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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