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26013-82-1 | Androst-5-en-17-one, 3-hydroxy-16-(1-pyrrolidinylmethylene)-, (3β)- (9CI)
CAS No: 26013-82-1 Catalog No: AG002RDO MDL No:
Product Description
Catalog Number:
AG002RDO
Chemical Name:
Androst-5-en-17-one, 3-hydroxy-16-(1-pyrrolidinylmethylene)-, (3β)- (9CI)
CAS Number:
26013-82-1
Molecular Formula:
C24H35NO2
Molecular Weight:
369.5402
IUPAC Name:
3-hydroxy-10,13-dimethyl-16-(pyrrolidin-1-ylmethylidene)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C24H35NO2/c1-23-9-7-18(26)14-17(23)5-6-19-20(23)8-10-24(2)21(19)13-16(22(24)27)15-25-11-3-4-12-25/h5,15,18-21,26H,3-4,6-14H2,1-2H3
InChI Key:
BLPWZFDTYUVONX-UHFFFAOYSA-N
SMILES:
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC(=CN3CCCC3)C2=O)C)C1)C
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.267g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.549g/mol
Monoisotopic Mass:
369.267g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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