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865087-09-8 | (3aR,4R,5R,6aS)-4-((S,E)-3-((tert-Butyldimethylsilyl)oxy)-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
CAS No: 865087-09-8 Catalog No: AG004VAF MDL No:MFCD23115492
Product Description
Catalog Number:
AG004VAF
Chemical Name:
(3aR,4R,5R,6aS)-4-((S,E)-3-((tert-Butyldimethylsilyl)oxy)-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
CAS Number:
865087-09-8
Molecular Formula:
C37H44O5Si
Molecular Weight:
596.8278
MDL Number:
MFCD23115492
IUPAC Name:
[(3aR,4R,5R,6aS)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
InChI:
InChI=1S/C37H44O5Si/c1-37(2,3)43(4,5)42-30(21-16-26-12-8-6-9-13-26)22-23-31-32-24-35(38)40-34(32)25-33(31)41-36(39)29-19-17-28(18-20-29)27-14-10-7-11-15-27/h6-15,17-20,22-23,30-34H,16,21,24-25H2,1-5H3/b23-22+/t30-,31+,32+,33+,34-/m0/s1
InChI Key:
JKHADYMACPRLAF-SVZVGOFZSA-N
SMILES:
O=C1C[C@H]2[C@@H](O1)C[C@H]([C@@H]2/C=C/[C@@H](O[Si](C(C)(C)C)(C)C)CCc1ccccc1)OC(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
949
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
1
Exact Mass:
596.296g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
596.839g/mol
Monoisotopic Mass:
596.296g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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