6H-Benz[c]indeno[5,4-e]oxepin-6-one,1-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-,(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-


Chemical Name: 6H-Benz[c]indeno[5,4-e]oxepin-6-one,1-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-,(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
CAS Number: 80483-89-2
Product Number: AG00G353(AGN-PC-0UH5QV)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
494.713g/mol
XLogP3:
5.2
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
494.361g/mol
Monoisotopic Mass:
494.361g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
770
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
13
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


Other Analytical Data


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