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Home > Other Building Blocks > 145-14-2
145-14-2 | Pregn-4-en-3-one, 20-hydroxy-, (20S)-
CAS No: 145-14-2 Catalog No: AG001KFR MDL No:MFCD00009823
Product Description
Catalog Number:
AG001KFR
Chemical Name:
Pregn-4-en-3-one, 20-hydroxy-, (20S)-
CAS Number:
145-14-2
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
MDL Number:
MFCD00009823
IUPAC Name:
(8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1
InChI Key:
RWBRUCCWZPSBFC-RXRZZTMXSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](O)C)C)C
UNII:
45630A64AC
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
316.24g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
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|---|---|
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