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16463-74-4 | Pregn-4-ene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11β)-
CAS No: 16463-74-4 Catalog No: AG001UZV MDL No:
Product Description
Catalog Number:
AG001UZV
Chemical Name:
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11β)-
CAS Number:
16463-74-4
Molecular Formula:
C23H32O6
Molecular Weight:
404.4966
IUPAC Name:
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
InChI:
InChI=1S/C23H32O6/c1-13(25)29-23(19(28)12-24)9-7-17-16-5-4-14-10-15(26)6-8-21(14,2)20(16)18(27)11-22(17,23)3/h10,16-18,20,24,27H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChI Key:
HDEDWNHZBWFQCB-JZYPGELDSA-N
SMILES:
OCC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)OC(=O)C
EC Number:
240-510-2
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
404.22g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.503g/mol
Monoisotopic Mass:
404.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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