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50478-55-2 | (3S,4'S)-6α,6''α-Di(3-furanyl)-1,6,7,8,9,9aβ,1'',6'',7'',8'',9'',9''aβ-dodecahydro-4α-hydroxy-9β,9''β-dimethyldispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine]
CAS No: 50478-55-2 Catalog No: AG00E1AA MDL No:
Product Description
Catalog Number:
AG00E1AA
Chemical Name:
(3S,4'S)-6α,6''α-Di(3-furanyl)-1,6,7,8,9,9aβ,1'',6'',7'',8'',9'',9''aβ-dodecahydro-4α-hydroxy-9β,9''β-dimethyldispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine]
CAS Number:
50478-55-2
InChI:
InChI=1S/C30H42N2O3S/c1-20-3-5-26(22-9-13-34-15-22)31-18-29(11-7-24(20)31)17-30(36-19-29)12-8-25-21(2)4-6-27(32(25)28(30)33)23-10-14-35-16-23/h9-10,13-16,20-21,24-28,33H,3-8,11-12,17-19H2,1-2H3/t20-,21-,24+,25+,26+,27+,28+,29+,30+/m1/s1
InChI Key:
GAKRXIIHJWAJNM-MXOFTCSRSA-N
Properties
Complexity:
815
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
510.292g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
510.737g/mol
Monoisotopic Mass:
510.292g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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