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121878-20-4

121878-20-4 | 3'-iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin

CAS No: 121878-20-4 Catalog No: AG00AI8U MDL No:

Product Description

Catalog Number:
AG00AI8U
Chemical Name:
3'-iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin
CAS Number:
121878-20-4
IUPAC Name:
[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-[(4-azido-2-hydroxy-3-iodobenzoyl)amino]ethylamino]-4-oxobutanoate
InChI:
InChI=1S/C33H44IN5O10/c1-7-30(4)16-20(41)33(47)31(5)19(40)12-13-29(2,3)26(31)25(45)27(32(33,6)49-30)48-22(43)11-10-21(42)36-14-15-37-28(46)17-8-9-18(38-39-35)23(34)24(17)44/h7-9,19,25-27,40,44-45,47H,1,10-16H2,2-6H3,(H,36,42)(H,37,46)/t19-,25-,26-,27-,30+,31-,32+,33-/m1/s1
InChI Key:
UTCUSMOTNRCVGL-JFHNSAMMSA-N

Properties

Complexity:
1390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
797.213g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
797.644g/mol
Monoisotopic Mass:
797.213g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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