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125142-16-7 | Butanoic acid, 2,2-dimethyl-, 8-[2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3,7-dimethyl-1-naphthalenyl ester, [1S-[1α,3α,4aα,7β,8β(2S*,4S*),8aβ]]- (9CI)
CAS No: 125142-16-7 Catalog No: AG000N8H MDL No:
Product Description
Catalog Number:
AG000N8H
Chemical Name:
Butanoic acid, 2,2-dimethyl-, 8-[2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3,7-dimethyl-1-naphthalenyl ester, [1S-[1α,3α,4aα,7β,8β(2S*,4S*),8aβ]]- (9CI)
CAS Number:
125142-16-7
IUPAC Name:
[(1S,3R,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4a-hydroxy-3,7-dimethyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
InChI:
InChI=1S/C31H54O6Si/c1-11-30(7,8)28(33)36-25-16-20(2)19-31(34)15-14-21(3)24(27(25)31)13-12-22-17-23(18-26(32)35-22)37-38(9,10)29(4,5)6/h14-15,20-25,27,34H,11-13,16-19H2,1-10H3/t20-,21+,22-,23-,24+,25+,27+,31-/m1/s1
InChI Key:
PNTVVZJLRPNFKC-OMHVBIQFSA-N
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
550.369g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
550.852g/mol
Monoisotopic Mass:
550.369g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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