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6β-Methyl Fluorometholone

CAT: 0024-sc-484477Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-484477Size:10 mg
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CAS Number
3918-13-6

Chemical Information

6b-Methyl Fluorometholone
CAS Number3918-13-6
PubChem CID92210076
IUPAC Name(6R,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H29FO4
Molecular Weight376.5
XLogP2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity787
SMILES
C[C@@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O
InChI
InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15+,17+,18+,19+,20+,21+,22+/m1/s1
InChIKey
FAOZLTXFLGPHNG-PESIIREASA-N
Chemical Structure
2D Structure
2D structure of 6b-Methyl Fluorometholone
CAS: 3918-13-6
CID: 92210076
Formula: C22H29FO4
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass376.20498756
Monoisotopic Mass376.20498756
Topological Polar Surface Area74.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count8
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
AR-F01740-016-beta-Methyl Fluorometholone
FM78795-016beta-Methyl Fluorometholone
TRC-M305340-0.25MG6b-Methyl Fluorometholone
RM-F123606-01Fluorometholone Impurity 6
276367-01Fluorometholone acetate 6,9 (11) -diene impurity
GP8238-250mgFluorometholone
FF23441-01Fluorometholone acetate

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