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2597-80-0 | 2H-Phenanthro[2,1-b]pyran-2,8,11-trione, 10b-fluoro-3,4,4a,4b,5,6,9,10,10a,10b,12,12a-dodecahydro-10a,12a-dimethyl-
CAS No: 2597-80-0 Catalog No: AG002R8O MDL No:
Product Description
Catalog Number:
AG002R8O
Chemical Name:
2H-Phenanthro[2,1-b]pyran-2,8,11-trione, 10b-fluoro-3,4,4a,4b,5,6,9,10,10a,10b,12,12a-dodecahydro-10a,12a-dimethyl-
CAS Number:
2597-80-0
Molecular Formula:
C19H23FO4
Molecular Weight:
334.3819
IUPAC Name:
(4aS,4bS,10aS,10bR,12aS)-10b-fluoro-10a,12a-dimethyl-4,4a,4b,5,6,9,10,12-octahydro-3H-naphtho[2,1-f]chromene-2,8,11-trione
InChI:
InChI=1S/C19H23FO4/c1-17-8-7-12(21)9-11(17)3-4-14-13-5-6-16(23)24-18(13,2)10-15(22)19(14,17)20/h9,13-14H,3-8,10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1
InChI Key:
KZCAONRIBQAREG-ZENYQMPMSA-N
SMILES:
O=C1CCC2(C(=C1)CCC1C2(F)C(=O)CC2(C1CCC(=O)O2)C)C
NSC Number:
77522
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
334.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.387g/mol
Monoisotopic Mass:
334.158g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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