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3912-56-9 | (7aS,8S)-6,7,7a,8-Tetrahydro-4-methoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-ol
CAS No: 3912-56-9 Catalog No: AG00CPY6 MDL No:
Product Description
Catalog Number:
AG00CPY6
Chemical Name:
(7aS,8S)-6,7,7a,8-Tetrahydro-4-methoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-ol
CAS Number:
3912-56-9
IUPAC Name:
(12S,13S)-7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-13-ol
InChI:
InChI=1S/C19H19NO4/c1-20-8-7-12-13-14(18-19(17(12)22-2)24-9-23-18)10-5-3-4-6-11(10)16(21)15(13)20/h3-6,15-16,21H,7-9H2,1-2H3/t15-,16-/m0/s1
InChI Key:
IMMQQBXZSPYGID-HOTGVXAUSA-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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