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Home Other Building Blocks 91021-66-8
91021-66-8,MFCD28899136
Catalog No.:AA01EQ5E

91021-66-8 | (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[(6-deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]tetrahydro-2-hydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-oxacyclohexadeca-3,5,11,13-tetraen-2-one

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Purity
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2.5mg
≥95%
in stock  
$1,418.00   $992.00
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Technical Information
Catalog Number:
AA01EQ5E
Chemical Name:
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[(6-deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]tetrahydro-2-hydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CAS Number:
91021-66-8
Molecular Formula:
C42H70O13
Molecular Weight:
782.9974
MDL Number:
MFCD28899136
SMILES:
CO[C@H]1/C=C\C=C(\C)/C[C@H](C)[C@H](O)[C@@H](/C=C(\C=C(/C(=O)O[C@@H]1[C@H]([C@H]([C@@H]([C@@]1(O)C[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)O)O)[C@@H]([C@H](O1)C(C)C)C)C)O)C)\OC)/C)C
Properties
Computed Properties
 
Complexity:
1360  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
17  
Undefined Bond Stereocenter Count:
4  
XLogP3:
5.5  

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SDS
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Tags:91021-66-8 Molecular Formula|91021-66-8 MDL|91021-66-8 SMILES|91021-66-8 (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[(6-deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]tetrahydro-2-hydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-oxacyclohexadeca-3,5,11,13-tetraen-2-one