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126109-41-9 | Carbonic acid, (3β,5α,17β)-17-[(methoxycarbonyl)amino]androstan-3-yl methyl ester (9CI)
CAS No: 126109-41-9 Catalog No: AG000RNI MDL No:
Product Description
Catalog Number:
AG000RNI
Chemical Name:
Carbonic acid, (3β,5α,17β)-17-[(methoxycarbonyl)amino]androstan-3-yl methyl ester (9CI)
CAS Number:
126109-41-9
Molecular Formula:
C23H37NO5
Molecular Weight:
407.5436
IUPAC Name:
[(3S,5S,10S,13S,17S)-17-(methoxycarbonylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate
InChI:
InChI=1S/C23H37NO5/c1-22-11-9-15(29-21(26)28-4)13-14(22)5-6-16-17-7-8-19(24-20(25)27-3)23(17,2)12-10-18(16)22/h14-19H,5-13H2,1-4H3,(H,24,25)/t14-,15-,16?,17?,18?,19-,22-,23-/m0/s1
InChI Key:
SNEOTXIRBDTHNR-XVDBARLESA-N
SMILES:
COC(=O)N[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OC(=O)OC
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
407.267g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.551g/mol
Monoisotopic Mass:
407.267g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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