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Home > Indoles and Oxindole > 110187-21-8
110187-21-8 | 6H-Benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one,13-(1,1-dimethylethyl)-10-ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10-dimethyl-7-(1-methylethyl)-,(4S,7S,10R,13R)- (9CI)
CAS No: 110187-21-8 Catalog No: AG007DUR MDL No:
Product Description
Catalog Number:
AG007DUR
Chemical Name:
6H-Benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one,13-(1,1-dimethylethyl)-10-ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10-dimethyl-7-(1-methylethyl)-,(4S,7S,10R,13R)- (9CI)
CAS Number:
110187-21-8
Molecular Formula:
C29H43N3O2
Molecular Weight:
465.6706
IUPAC Name:
(6S,9S,14R,17R)-17-tert-butyl-14-ethenyl-6-(methoxymethyl)-10,14-dimethyl-9-propan-2-yl-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one
InChI:
InChI=1S/C29H43N3O2/c1-10-29(7)12-11-20(28(4,5)6)24-21(29)14-22-23-18(15-30-25(23)24)13-19(16-34-9)31-27(33)26(17(2)3)32(22)8/h10,14-15,17,19-20,26,30H,1,11-13,16H2,2-9H3,(H,31,33)/t19-,20-,26-,29-/m0/s1
InChI Key:
XVXFTYXRGYNKBI-JKRNNPMPSA-N
SMILES:
COC[C@H]1NC(=O)[C@H](C(C)C)N(c2c3c(C1)c[nH]c3c1c(c2)[C@@](C)(C=C)CC[C@@H]1C(C)(C)C)C
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
465.336g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
465.682g/mol
Monoisotopic Mass:
465.336g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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