[(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S)-4-[(2R,3S,10S,11S,12R,13R)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate


Chemical Name: [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S)-4-[(2R,3S,10S,11S,12R,13R)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate
CAS Number: 81552-33-2
Product Number: AG005JUA(AGN-PC-09M7R9)
Synonyms:
MDL No: MFCD01731919
Molecular Formula: C45H73NO14
Molecular Weight: 852.0594

Identification/Properties


Computed Properties
Molecular Weight:
852.072g/mol
XLogP3:
5.6
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
11
Exact Mass:
851.503g/mol
Monoisotopic Mass:
851.503g/mol
Topological Polar Surface Area:
226A^2
Heavy Atom Count:
60
Formal Charge:
0
Complexity:
1560
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
18
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
5
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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