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136379-64-1 | 1(2H)-Naphthalenone, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]octahydro-7,7-dimethoxy-4a-methyl-, (4R,4aR,8aR)-rel-
CAS No: 136379-64-1 Catalog No: AG0011TC MDL No:
Product Description
Catalog Number:
AG0011TC
Chemical Name:
1(2H)-Naphthalenone, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]octahydro-7,7-dimethoxy-4a-methyl-, (4R,4aR,8aR)-rel-
CAS Number:
136379-64-1
Molecular Formula:
C19H36O4Si
Molecular Weight:
356.5722
IUPAC Name:
(4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethoxy-4a-methyl-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-one
InChI:
InChI=1S/C19H36O4Si/c1-17(2,3)24(7,8)23-16-10-9-15(20)14-13-19(21-5,22-6)12-11-18(14,16)4/h14,16H,9-13H2,1-8H3/t14-,16+,18+/m1/s1
InChI Key:
IIQJRZFDGHTZOK-HFTRVMKXSA-N
SMILES:
COC1(OC)CC[C@@]2([C@@H](C1)C(=O)CC[C@H]2O[Si](C(C)(C)C)(C)C)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
356.238g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.578g/mol
Monoisotopic Mass:
356.238g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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