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16625-34-6 | 3,4α-[(4aβ,8aβ)-2α-Methyl-5-hydroxydecahydroquinoline-5α,7α-diyl]-1,4,4aα,5,6,7,8,8aβ-octahydronaphthalene-1-one
CAS No: 16625-34-6 Catalog No: AG00ATIZ MDL No:
Product Description
Catalog Number:
AG00ATIZ
Chemical Name:
3,4α-[(4aβ,8aβ)-2α-Methyl-5-hydroxydecahydroquinoline-5α,7α-diyl]-1,4,4aα,5,6,7,8,8aβ-octahydronaphthalene-1-one
CAS Number:
16625-34-6
IUPAC Name:
(1R,2R,3R,8S,12S,13S,16R,18S)-12-hydroxy-16-methyl-17-azapentacyclo[10.7.1.02,11.03,8.013,18]icos-10-en-9-one
InChI:
InChI=1S/C20H29NO2/c1-11-6-7-15-17(21-11)8-12-10-20(15,23)16-9-18(22)13-4-2-3-5-14(13)19(12)16/h9,11-15,17,19,21,23H,2-8,10H2,1H3/t11-,12-,13+,14+,15+,17+,19-,20+/m1/s1
InChI Key:
XDNWMBOYOPJFHT-YKKMPQFKSA-N
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
315.22g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.457g/mol
Monoisotopic Mass:
315.22g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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