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20917-51-5 | Pregn-4-en-3-one, 20-hydroxy-20-methyl- (6CI,9CI)
CAS No: 20917-51-5 Catalog No: AG002K2T MDL No:
Product Description
Catalog Number:
AG002K2T
Chemical Name:
Pregn-4-en-3-one, 20-hydroxy-20-methyl- (6CI,9CI)
CAS Number:
20917-51-5
Molecular Formula:
C22H34O2
Molecular Weight:
330.5042
IUPAC Name:
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxypropan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C22H34O2/c1-20(2,24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,3)18(16)10-12-22(17,19)4/h13,16-19,24H,5-12H2,1-4H3/t16-,17-,18-,19+,21-,22-/m0/s1
InChI Key:
LHPASWXOIRNYHK-XUCMERPOSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(O)(C)C)C)C
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
330.256g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.512g/mol
Monoisotopic Mass:
330.256g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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