sodium;(3R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate


Chemical Name: sodium;(3R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
CAS Number: 81131-70-6
Product Number: AG0039LL(AGN-PC-00YUUI)
Synonyms:
MDL No:
Molecular Formula: C23H35NaO7
Molecular Weight: 446.5096

Identification/Properties


Computed Properties
Molecular Weight:
446.516g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
11
Exact Mass:
446.228g/mol
Monoisotopic Mass:
446.228g/mol
Topological Polar Surface Area:
127A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
662
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
8
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H350-H360
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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