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136379-61-8 | 1,7-Naphthalenediol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]decahydro-1,4a-dimethyl-, 7-methanesulfonate, (1α,4α,4aα,7β,8aβ)- (9CI)
CAS No: 136379-61-8 Catalog No: AG0011TD MDL No:
Product Description
Catalog Number:
AG0011TD
Chemical Name:
1,7-Naphthalenediol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]decahydro-1,4a-dimethyl-, 7-methanesulfonate, (1α,4α,4aα,7β,8aβ)- (9CI)
CAS Number:
136379-61-8
Molecular Formula:
C19H38O5SSi
Molecular Weight:
406.6525
IUPAC Name:
[(2R,4aS,5S,8R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl] methanesulfonate
InChI:
InChI=1S/C19H38O5SSi/c1-17(2,3)26(7,8)24-16-10-12-19(5,20)15-13-14(23-25(6,21)22)9-11-18(15,16)4/h14-16,20H,9-13H2,1-8H3/t14-,15-,16+,18+,19-/m1/s1
InChI Key:
DKSQDFQMUZQVFI-RFXPCRSYSA-N
SMILES:
CS(=O)(=O)O[C@@H]1CC[C@]2([C@@H](C1)[C@](C)(O)CC[C@@H]2O[Si](C(C)(C)C)(C)C)C
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
406.221g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.653g/mol
Monoisotopic Mass:
406.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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