8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol,2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-,(2R,3R,4S,8S,14R,15R)-


Chemical Name: 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol,2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-,(2R,3R,4S,8S,14R,15R)-
CAS Number: 88082-60-4
Product Number: AG01E5N8(AGN-PC-0VIUI7)
Synonyms:
MDL No:
Molecular Formula: C45H36O18
Molecular Weight: 864.7565

Identification/Properties


Computed Properties
Molecular Weight:
864.765g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
14
Hydrogen Bond Acceptor Count:
18
Rotatable Bond Count:
4
Exact Mass:
864.19g/mol
Monoisotopic Mass:
864.19g/mol
Topological Polar Surface Area:
320A^2
Heavy Atom Count:
63
Formal Charge:
0
Complexity:
1610
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:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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