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83481-23-6 | (3S,5S,7S,13E,16S,17E,19R,21E)-5-Ethyl-7,19-dihydroxy-3-[(R)-1-(1H-indol-3-yl)ethyl]-16,18-dimethyl-10,11-dinor[13]cytochalasa-6(12),13,17,21-tetrene-1,20,23-trione
CAS No: 83481-23-6 Catalog No: AG00GK1Z MDL No:
Product Description
Catalog Number:
AG00GK1Z
Chemical Name:
(3S,5S,7S,13E,16S,17E,19R,21E)-5-Ethyl-7,19-dihydroxy-3-[(R)-1-(1H-indol-3-yl)ethyl]-16,18-dimethyl-10,11-dinor[13]cytochalasa-6(12),13,17,21-tetrene-1,20,23-trione
CAS Number:
83481-23-6
IUPAC Name:
(1R,3Z,6R,7Z,9S,11Z,13R,14S,16S,17R,18S)-16-ethyl-6,14-dihydroxy-18-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9-dimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,5,20-trione
InChI:
InChI=1S/C34H40N2O5/c1-6-22-21(5)32(40)25-12-9-10-18(2)16-19(3)31(39)27(37)14-15-28(38)34(25)29(22)30(36-33(34)41)20(4)24-17-35-26-13-8-7-11-23(24)26/h7-9,11-18,20,22,25,29-32,35,39-40H,5-6,10H2,1-4H3,(H,36,41)/b12-9-,15-14-,19-16-/t18-,20+,22+,25-,29-,30-,31+,32+,34+/m0/s1
InChI Key:
PTACSLBMGBVOKZ-KIMOWPOJSA-N
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
3
Exact Mass:
556.294g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
556.703g/mol
Monoisotopic Mass:
556.294g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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