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119817-92-4 | Securinan-11-one, 14,15-dihydro-15-hydroxy-, (2α,15β)- (9CI)
CAS No: 119817-92-4 Catalog No: AG000PQ6 MDL No:
Product Description
Catalog Number:
AG000PQ6
Chemical Name:
Securinan-11-one, 14,15-dihydro-15-hydroxy-, (2α,15β)- (9CI)
CAS Number:
119817-92-4
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
(2S,8R,9R)-9-hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one
InChI:
InChI=1S/C13H17NO3/c15-10-5-8-6-12(16)17-13(8)7-9(10)14-4-2-1-3-11(13)14/h6,9-11,15H,1-5,7H2/t9-,10-,11+,13?/m1/s1
InChI Key:
OHLFUILALUNTGR-WHKIEGFNSA-N
SMILES:
O=C1C=C2C3(O1)C[C@H]([C@@H](C2)O)N1[C@H]3CCCC1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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