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53602-02-1

53602-02-1 | (7aS,8S)-6,7,7a,8-Tetrahydro-10-methoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-ol

CAS No: 53602-02-1 Catalog No: AG00DOO7 MDL No:

Product Description

Catalog Number:
AG00DOO7
Chemical Name:
(7aS,8S)-6,7,7a,8-Tetrahydro-10-methoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-ol
CAS Number:
53602-02-1
IUPAC Name:
(12S,13S)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol
InChI:
InChI=1S/C19H19NO4/c1-20-6-5-10-7-14-19(24-9-23-14)16-12-4-3-11(22-2)8-13(12)18(21)17(20)15(10)16/h3-4,7-8,17-18,21H,5-6,9H2,1-2H3/t17-,18-/m0/s1
InChI Key:
HKTOYUUCGONYEC-ROUUACIJSA-N

Properties

Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
325.131g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.364g/mol
Monoisotopic Mass:
325.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
Antipoliovirus structure-activity relationships of some aporphine alkaloids. Journal of natural products 19980401

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