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20072-02-0 | 8H-6,11b-Methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one, 9,10,11,11a-tetrahydro-10-methoxy-, (6S,10R,11aR,11bS)-
CAS No: 20072-02-0 Catalog No: AG002CXO MDL No:
Product Description
Catalog Number:
AG002CXO
Chemical Name:
8H-6,11b-Methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one, 9,10,11,11a-tetrahydro-10-methoxy-, (6S,10R,11aR,11bS)-
CAS Number:
20072-02-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
(2R,4R,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
InChI:
InChI=1S/C14H17NO3/c1-17-11-4-5-15-10-3-2-9-6-13(16)18-14(9,8-10)12(15)7-11/h2-3,6,10-12H,4-5,7-8H2,1H3/t10-,11-,12-,14?/m1/s1
InChI Key:
YKLWRYOORWTCQQ-ZXRVKKJVSA-N
SMILES:
CO[C@@H]1CCN2[C@H](C1)[C@]13OC(=O)C=C3C=C[C@@H]2C1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| High-performance thin-layer chromatography densitometric method for simultaneous quantitation of phyllanthin, hypophyllanthin, gallic acid, and ellagic acid in Phyllanthus amarus. | Journal of AOAC International 20060101 |
| Effect of cadmium on growth, ultramorphology of leaf and secondary metabolites of Phyllanthus amarus Schum. and Thonn. | Chemosphere 20051201 |
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