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Home Deuterated Building Blocks 1356841-89-8
1356841-89-8,MFCD31808174
Catalog No.:AA00A1CY

1356841-89-8 | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl-3-13C-d2)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone

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Purity
Availability
Price(USD)
Quantity
  
1mg
98.0%
1 week  
$2,304.00   $1,613.00
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Technical Information
Catalog Number:
AA00A1CY
Chemical Name:
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl-3-13C-d2)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone
CAS Number:
1356841-89-8
Molecular Formula:
C44H67D2NO12
Molecular Weight:
807.0231
MDL Number:
MFCD31808174
SMILES:
CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(/[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@H](C/C(=C/[C@H](C(=O)C[C@@H]([C@H]1C)O)CC=[13C]([2H])[2H])/C)C)OC)[C@H](C[C@H]2C)OC)\C
Properties
Computed Properties
 
Complexity:
1480  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
14  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
3  
Rotatable Bond Count:
7  
XLogP3:
2.7  

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SDS
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Tags:1356841-89-8 Molecular Formula|1356841-89-8 MDL|1356841-89-8 SMILES|1356841-89-8 (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl-3-13C-d2)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone