7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-,6,9,12b-triacetate 12-benzoate,(2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-


Chemical Name: 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-,6,9,12b-triacetate 12-benzoate,(2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-
CAS Number: 142203-65-4
Product Number: AG001HY4(AGN-PC-0PS0DA)
Synonyms:
MDL No:
Molecular Formula: C33H42O12
Molecular Weight: 630.6794

Identification/Properties


Computed Properties
Molecular Weight:
630.687g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
9
Exact Mass:
630.268g/mol
Monoisotopic Mass:
630.268g/mol
Topological Polar Surface Area:
175A^2
Heavy Atom Count:
45
Formal Charge:
0
Complexity:
1270
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
10
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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