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)-,monohydrate, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,1


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)-,monohydrate, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,1
CAS Number: 109581-93-3
Product Number: AG0035MN(AGN-PC-0OZN5N)
Synonyms:
MDL No:
Molecular Formula: C44H71NO13
Molecular Weight: 822.0334

Identification/Properties


Properties
MP:
119-131ºC
BP:
871.7°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
822.046g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
13
Rotatable Bond Count:
7
Exact Mass:
821.493g/mol
Monoisotopic Mass:
821.493g/mol
Topological Polar Surface Area:
179A^2
Heavy Atom Count:
58
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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