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900160-98-7 | (1'R,3a'R,8a'S,9'S,9a'S)-1'-Methyl-3'-oxo-N,N-diphenyl-3',3a',5',7',8',8a',9',9a'-octahydro-1'H-spiro[[1,3]dioxolane-2,6'-naphtho[2,3-c]furan]-9'-carboxamide
CAS No: 900160-98-7 Catalog No: AG01EN08 MDL No:
Product Description
Catalog Number:
AG01EN08
Chemical Name:
(1'R,3a'R,8a'S,9'S,9a'S)-1'-Methyl-3'-oxo-N,N-diphenyl-3',3a',5',7',8',8a',9',9a'-octahydro-1'H-spiro[[1,3]dioxolane-2,6'-naphtho[2,3-c]furan]-9'-carboxamide
CAS Number:
900160-98-7
IUPAC Name:
(3'aR,8'aR,9'aR)-1'-methyl-3'-oxo-N,N-diphenylspiro[1,3-dioxolane-2,6'-1,3a,5,7,8,8a,9,9a-octahydrobenzo[f][2]benzofuran]-9'-carboxamide
InChI:
InChI=1S/C28H29NO5/c1-18-24-23(27(31)34-18)16-19-17-28(32-14-15-33-28)13-12-22(19)25(24)26(30)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,16,18,22-25H,12-15,17H2,1H3/t18?,22-,23+,24-,25?/m0/s1
InChI Key:
TTXWPSXSTDLJEP-RQEYIKDBSA-N
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
459.205g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.542g/mol
Monoisotopic Mass:
459.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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