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115160-15-1 | Estr-8(14)-en-3-one, (5α)- (9CI)
CAS No: 115160-15-1 Catalog No: AG000GCY MDL No:
Product Description
Catalog Number:
AG000GCY
Chemical Name:
Estr-8(14)-en-3-one, (5α)- (9CI)
CAS Number:
115160-15-1
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
IUPAC Name:
(5S,9R,10S,13S)-13-methyl-2,4,5,6,7,9,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C18H26O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h12,14-15H,2-11H2,1H3/t12-,14-,15+,18-/m0/s1
InChI Key:
AQZOMKUJZMRYEG-FRQROOTJSA-N
SMILES:
O=C1CC[C@H]2[C@H](C1)CCC1=C3[C@@](CC[C@H]21)(C)CCC3
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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