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1195760-68-9 | Spiro[3H-indole-3,7'(6'H)-[3,6]methano[3H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2'-ethyl-3'a,4',8',8'a-tetrahydro-6-hydroxy-1-methoxy-, (3S,3'R,3'aS,6'R,8'aS)-
CAS No: 1195760-68-9 Catalog No: AG000IYS MDL No:MFCD28100277
Product Description
Catalog Number:
AG000IYS
Chemical Name:
Spiro[3H-indole-3,7'(6'H)-[3,6]methano[3H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2'-ethyl-3'a,4',8',8'a-tetrahydro-6-hydroxy-1-methoxy-, (3S,3'R,3'aS,6'R,8'aS)-
CAS Number:
1195760-68-9
MDL Number:
MFCD28100277
IUPAC Name:
(1S,2S,7R)-6-ethyl-6'-hydroxy-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
InChI:
InChI=1S/C19H22N2O4/c1-3-14-11-7-17-19(8-15(20-14)12(11)9-25-17)13-5-4-10(22)6-16(13)21(24-2)18(19)23/h4-6,11-12,15,17,22H,3,7-9H2,1-2H3/t11-,12?,15?,17+,19+/m1/s1
InChI Key:
ZXUAITOHPKQHGN-NKZRWYIWSA-N
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
342.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.395g/mol
Monoisotopic Mass:
342.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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