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34443-74-8 | (2aS,4R,5aα,6S,8aβ)-3α-Acetyl-4,7α-dimethyl-6-phenyldecahydro-1H-pyrrolo[2,1,5-de]quinolizine-4,6-diol
CAS No: 34443-74-8 Catalog No: AG00CPX1 MDL No:
Product Description
Catalog Number:
AG00CPX1
Chemical Name:
(2aS,4R,5aα,6S,8aβ)-3α-Acetyl-4,7α-dimethyl-6-phenyldecahydro-1H-pyrrolo[2,1,5-de]quinolizine-4,6-diol
CAS Number:
34443-74-8
IUPAC Name:
1-[(1S,4S,5S,6R,8S,9S,10R)-6,9-dihydroxy-6,10-dimethyl-9-phenyl-12-azatricyclo[6.3.1.04,12]dodecan-5-yl]ethanone
InChI:
InChI=1S/C21H29NO3/c1-13-11-16-9-10-17-19(14(2)23)20(3,24)12-18(22(16)17)21(13,25)15-7-5-4-6-8-15/h4-8,13,16-19,24-25H,9-12H2,1-3H3/t13-,16+,17+,18+,19+,20-,21+/m1/s1
InChI Key:
DCDDFWOASGCFGZ-JMMKEXGVSA-N
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
343.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.467g/mol
Monoisotopic Mass:
343.215g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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