9,10-Secoergosta-5,7,10(19)-trien-3-ol, (3b,5Z,7E)-


Chemical Name: 9,10-Secoergosta-5,7,10(19)-trien-3-ol, (3b,5Z,7E)-
CAS Number: 511-28-4
Product Number: AG00DDSR(AGN-PC-0S9OXH)
Synonyms:
MDL No:
Molecular Formula: C28H46O
Molecular Weight: 398.6642

Identification/Properties


Computed Properties
Molecular Weight:
398.675g/mol
XLogP3:
8.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
6
Exact Mass:
398.355g/mol
Monoisotopic Mass:
398.355g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
639
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
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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