15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,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)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-


Chemical Name: 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,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)-,(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-
CAS Number: 104987-11-3
Product Number: AG0039L0(AGN-PC-0OU33J)
Synonyms:
MDL No: MFCD00869853
Molecular Formula: C44H69NO12
Molecular Weight: 804.0182

Identification/Properties


Computed Properties
Molecular Weight:
804.031g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
7
Exact Mass:
803.482g/mol
Monoisotopic Mass:
803.482g/mol
Topological Polar Surface Area:
178A^2
Heavy Atom Count:
57
Formal Charge:
0
Complexity:
1480
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
14
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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