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Frenolicin B

CAT: 0572-TRC-F433660-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F433660-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68930-68-7
Synonyms
Frenolicin B
Hazard Statement
No Data Available
Smiles
CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C3=C1C(=O)c4c(O)cccc4C3=O
Molecular Formula
C18 H16 O6
Molecular Weight
328.316
InChI
InChI=1S/C18H16O6/c1-2-4-10-14-15(18-11(23-10)7-12(20)24-18)16(21)8-5-3-6-9(19)13(8)17(14)22/h3,5-6,10-11,18-19H,2,4,7H2,1H3/t10-,11-,18+/m1/s1
Shipping Conditions
Room Temperature

Chemical Information

Frenolicin B

Frenolicin B is a member of p-quinones and a benzoisochromanequinone. It has a role as a metabolite.

CAS Number68930-68-7
PubChem CID163292
IUPAC Name(11R,15R,17R)-4-hydroxy-17-propyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
Molecular FormulaC18H16O6
Molecular Weight328.3
XLogP1.9
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity635
SMILES
CCC[C@@H]1C2=C([C@@H]3[C@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O
InChI
InChI=1S/C18H16O6/c1-2-4-10-14-15(18-11(23-10)7-12(20)24-18)16(21)8-5-3-6-9(19)13(8)17(14)22/h3,5-6,10-11,18-19H,2,4,7H2,1H3/t10-,11-,18+/m1/s1
InChIKey
AVCPRTNVVRPELB-YRUZYCQGSA-N
Chemical Structure
2D Structure
2D structure of Frenolicin B
CAS: 68930-68-7
CID: 163292
Formula: C18H16O6
MW: 328.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.3
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass328.09468823
Monoisotopic Mass328.09468823
Topological Polar Surface Area89.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T71646-01Frenolicin
XF183224-01Frenolicin B

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