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4829-36-1 | (7S)-3',4',6,8-Tetrahydro-6',7'-dimethoxy-2'-methyl-6-methylenespiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinoline]
CAS No: 4829-36-1 Catalog No: AG00E05I MDL No:
Product Description
Catalog Number:
AG00E05I
Chemical Name:
(7S)-3',4',6,8-Tetrahydro-6',7'-dimethoxy-2'-methyl-6-methylenespiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinoline]
CAS Number:
4829-36-1
IUPAC Name:
(1S)-6,7-dimethoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]
InChI:
InChI=1S/C22H23NO4/c1-13-15-5-6-18-21(27-12-26-18)16(15)11-22(13)17-10-20(25-4)19(24-3)9-14(17)7-8-23(22)2/h5-6,9-10H,1,7-8,11-12H2,2-4H3/t22-/m0/s1
InChI Key:
JRHBRSNGMLYULO-QFIPXVFZSA-N
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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