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5.beta.-Cholestane-3.alpha.,7.alpha.,12.alpha.,23xi,25-pentol TMS,5.be

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摘 要:5.beta.-Cholestane-3.alpha.,7.alpha.,12.alpha.,23xi,25-pentol TMS,5.beta.-Cholestane-3.alpha.,7.alpha.,12.alpha.,23xi,25-pentol, penta-TMS, [10,13-dimethyl-17-[6-methyl-4,6-bis(trimethylsilyloxy)heptan-2-yl]-3,,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,
[Synonyms]
5.beta.-Cholestane-3.alpha.,7.alpha.,12.alpha.,23xi,25-pentol TMS
5.beta.-Cholestane-3.alpha.,7.alpha.,12.alpha.,23xi,25-pentol, penta-TMS

[Structure]
5.beta.-Cholestane-3.alpha.,7.alpha.,12.alpha.,23xi,25-pentol TMS,5.be

[ Properties Computed from Structure]
Molecular Weight813.57262 [g/mol]
Molecular FormulaC42H88O5Si5
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count15
Exact Mass812.547809
MonoIsotopic Mass812.547809
Topological Polar Surface Area46.2
Heavy Atom Count52
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count12
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [10,13-dimethyl-17-[6-methyl-4,6-bis(trimethylsilyloxy)heptan-2-yl]-3,
7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,
17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy-trimethylsilane
Canonical SMILES: CC(CC(CC(C)(C)O[Si](C)(C)C)O[Si](C)(C)C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O
[Si](C)(C)C)C)O[Si](C)(C)C)O[Si](C)(C)C)C
InChI: InChI=1/C42H88O5Si5/c1-30(25-33(44-49(9,10)11)29-40(2,3)47-52(18,
19)20)34-21-22-35-39-36(28-38(42(34,35)5)46-51(15,
16)17)41(4)24-23-32(43-48(6,7)8)26-31(41)27-37(39)45-50(12,
13)14/h30-39H,21-29H2,1-20H3

 
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