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amcinonide

amcinonide

CAS: 51022-69-6

Formula: C28H35FO7

SMILES: CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C

IUPAC: 2-[(1'S,2'S,4'R,8'S,9'S,11'S,12'R,13'S)-12'-fluoro-11'-hydroxy-9',13'-dimethyl-16'-oxo-5',7'-dioxaspiro[cyclopentane-1,6'-pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosane]-14',17'-dien-8'-yl]-2-oxoethyl acetate

InChI: InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23-,24-,25+,27-,28-/m0/s1

Composition: C (66.92%), H (7.02%), F (3.78%), O (22.28%)

Molar Mass: 502.579

Atom Count: 71

Heavy Atom Count: 36

Properties
Properties
Common Names amcinonida; amcinonide; amcinonidum; triamcinolonacetatcyclopentanonid; ????
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 502.23668163
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey ILKJAFIWWBXGDU-MOGDOJJUSA-N
Lipinski's Rule of Five
Molar Refractivity 127.88
Topological Polar Surface Area 99.13
Polarizability 50.17
Ring Count 6
Rotatable Bond Count 4

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95% <5 Days 51022-69-6 $919.00$919.00
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