9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3b,5Z,7E,22E)-


Chemical Name: 9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3b,5Z,7E,22E)-
CAS Number: 21343-40-8
Product Number: AG0072OJ(AGN-PC-0QXWXM)
Synonyms:
MDL No:
Molecular Formula: C28H44O2
Molecular Weight: 412.6478

Identification/Properties


Computed Properties
Molecular Weight:
412.658g/mol
XLogP3:
6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
412.334g/mol
Monoisotopic Mass:
412.334g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
725
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301+H311-H330-H372
Precautionary Statements:
P260-P280-P284-P301+P310-P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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