9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3b,5Z,7E)-


Chemical Name: 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3b,5Z,7E)-
CAS Number: 19356-17-3
Product Number: AG003AAK(AGN-PC-0QM5Y0)
Synonyms:
MDL No:
Molecular Formula: C27H44O2
Molecular Weight: 400.6371

Identification/Properties


Computed Properties
Molecular Weight:
400.647g/mol
XLogP3:
6.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
400.334g/mol
Monoisotopic Mass:
400.334g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
655
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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