Stigmasta-5,22-dien-3-ol, (3b,22E)-


Chemical Name: Stigmasta-5,22-dien-3-ol, (3b,22E)-
CAS Number: 83-48-7
Product Number: AG00ID9S(AGN-PC-0OIU25)
Synonyms:
MDL No:
Molecular Formula: C29H48O
Molecular Weight: 412.6908

Identification/Properties


Computed Properties
Molecular Weight:
412.702g/mol
XLogP3:
8.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
412.371g/mol
Monoisotopic Mass:
412.371g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
674
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
9
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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