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1312716-26-9 | 3-Pyridinecarboxylic acid, 3,3'-[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-(acetyloxy)-2-(2,5-dihydro-4-hydroxy-5-oxo-3-furanyl)ethyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1,2-naphthalenediyl] ester
CAS No: 1312716-26-9 Catalog No: AG000VU8 MDL No:MFCD20274638
Product Description
Catalog Number:
AG000VU8
Chemical Name:
3-Pyridinecarboxylic acid, 3,3'-[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-(acetyloxy)-2-(2,5-dihydro-4-hydroxy-5-oxo-3-furanyl)ethyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1,2-naphthalenediyl] ester
CAS Number:
1312716-26-9
MDL Number:
MFCD20274638
IUPAC Name:
[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
InChI:
InChI=1S/C34H38N2O10/c1-19-9-6-12-24-32(19,3)27(45-29(39)21-10-7-13-35-16-21)28(46-30(40)22-11-8-14-36-17-22)34(5,42)33(24,4)25(44-20(2)37)15-23-18-43-31(41)26(23)38/h7-11,13-14,16-17,24-25,27-28,38,42H,6,12,15,18H2,1-5H3/t24-,25-,27-,28-,32-,33-,34-/m0/s1
InChI Key:
LOVZWLNTNWLURP-NCDJTCFZSA-N
Properties
Complexity:
1300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
634.253g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
634.682g/mol
Monoisotopic Mass:
634.253g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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