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18069-68-6 | Androstan-3-one, (5β)-
CAS No: 18069-68-6 Catalog No: AG00228R MDL No:
Product Description
Catalog Number:
AG00228R
Chemical Name:
Androstan-3-one, (5β)-
CAS Number:
18069-68-6
Molecular Formula:
C19H30O
Molecular Weight:
274.4409
IUPAC Name:
(5R,8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15+,16+,17+,18+,19+/m1/s1
InChI Key:
VMNRNUNYBVFVQI-PFFQMSPKSA-N
SMILES:
O=C1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
274.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.448g/mol
Monoisotopic Mass:
274.23g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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