33538-72-6,MFCD08061904
Catalog No.:AA00BYAY

33538-72-6 | (1R,2E,7R,8E,10R,12R,13S,17R)-7-[(2R,4R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-17-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2,10,12,20-tetramethyl-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$1,255.00   $878.00
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  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA00BYAY
Chemical Name:
(1R,2E,7R,8E,10R,12R,13S,17R)-7-[(2R,4R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-17-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2,10,12,20-tetramethyl-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one
CAS Number:
33538-72-6
Molecular Formula:
C40H66O10
Molecular Weight:
706.9460
MDL Number:
MFCD08061904
SMILES:
CCC(=O)[C@H]([C@H]([C@@H](C[C@H]([C@H]1OC(=O)C[C@@]2(O)CC=C([C@H](O2)/C(=C\CCC[C@H](/C=C/[C@@H](C[C@H]1C)C)O[C@H]1C[C@@H](O)[C@@H]([C@H](O1)C)O)/C)C)C)C)O)C
Properties
Computed Properties
 
Complexity:
1200  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
14  
Defined Bond Stereocenter Count:
2  
Formal Charge:
0  
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5  

Literature
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SDS
Tags:33538-72-6 Molecular Formula|33538-72-6 MDL|33538-72-6 SMILES|33538-72-6 (1R,2E,7R,8E,10R,12R,13S,17R)-7-[(2R,4R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-17-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2,10,12,20-tetramethyl-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one
Catalog No.: AA00BYAY
33538-72-6,MFCD08061904
33538-72-6 | (1R,2E,7R,8E,10R,12R,13S,17R)-7-[(2R,4R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-17-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2,10,12,20-tetramethyl-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one
Pack Size: 1mg
Purity: ≥95%
in stock
$1,255.00 $878.00
Quantity
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Technical Information
Catalog Number: AA00BYAY
Chemical Name: (1R,2E,7R,8E,10R,12R,13S,17R)-7-[(2R,4R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-17-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2,10,12,20-tetramethyl-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one
CAS Number: 33538-72-6
Molecular Formula: C40H66O10
Molecular Weight: 706.9460
MDL Number: MFCD08061904
SMILES: CCC(=O)[C@H]([C@H]([C@@H](C[C@H]([C@H]1OC(=O)C[C@@]2(O)CC=C([C@H](O2)/C(=C\CCC[C@H](/C=C/[C@@H](C[C@H]1C)C)O[C@H]1C[C@@H](O)[C@@H]([C@H](O1)C)O)/C)C)C)C)O)C
Properties
Complexity: 1200  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 14  
Defined Bond Stereocenter Count: 2  
Formal Charge: 0  
Heavy Atom Count: 50  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 9  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5  
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