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159383-94-5 | 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11,12-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-9-[(trimethylsilyl)oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
CAS No: 159383-94-5 Catalog No: AG001QN8 MDL No:
Product Description
Catalog Number:
AG001QN8
Chemical Name:
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11,12-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-9-[(trimethylsilyl)oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
CAS Number:
159383-94-5
Molecular Formula:
C37H68O9Si3
Molecular Weight:
741.1869
IUPAC Name:
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-1,2-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis(triethylsilyloxy)-15-trimethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate
InChI:
InChI=1S/C37H68O9Si3/c1-15-48(16-2,17-3)45-27-21-28-36(23-42-28,43-25(8)38)31-33(40)37(41)22-26(44-47(12,13)14)24(7)29(34(37,9)10)30(32(39)35(27,31)11)46-49(18-4,19-5)20-6/h26-28,30-31,33,40-41H,15-23H2,1-14H3/t26-,27-,28+,30+,31-,33-,35+,36-,37+/m0/s1
InChI Key:
OPJUXNZWUHWYAM-YFTSZZTPSA-N
SMILES:
CC[Si](O[C@H]1C(=O)[C@]2(C)[C@H](C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](O[Si](C)(C)C)C2)(C)C)O)O)(CO3)OC(=O)C)O[Si](CC)(CC)CC)(CC)CC
Properties
Complexity:
1270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
740.417g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
741.197g/mol
Monoisotopic Mass:
740.417g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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