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36912-94-4 | Androst-4-en-3-one,17-hydroxy-17-[(3-methyl-2-oxazolidinyl)carbonyl]-, (17a)- (9CI)
CAS No: 36912-94-4 Catalog No: AG0077MY MDL No:
Product Description
Catalog Number:
AG0077MY
Chemical Name:
Androst-4-en-3-one,17-hydroxy-17-[(3-methyl-2-oxazolidinyl)carbonyl]-, (17a)- (9CI)
CAS Number:
36912-94-4
Molecular Formula:
C24H35NO4
Molecular Weight:
401.5390
IUPAC Name:
17-hydroxy-10,13-dimethyl-17-(3-methyl-1,3-oxazolidine-2-carbonyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C24H35NO4/c1-22-9-6-16(26)14-15(22)4-5-17-18(22)7-10-23(2)19(17)8-11-24(23,28)20(27)21-25(3)12-13-29-21/h14,17-19,21,28H,4-13H2,1-3H3
InChI Key:
CPMVGPKCHITEER-UHFFFAOYSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2(O)C(=O)C1OCCN1C)C)C
NSC Number:
110679
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.257g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.547g/mol
Monoisotopic Mass:
401.257g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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