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313-04-2

313-04-2 structural image
Product Name: DESMOSTEROL
Formula: C27H44O
Synonyms: 24-Dehydrocholesterol;24-dehydrocholesterol; 5,24-cholestadien-3β-ol; 110798;3β-Hydroxy-5,24-cholestadiene;5,24-Cholestadien-3β-ol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 121.5 °C
Collision Cross Section 199.4 Ų [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 384.6 g/mol
XLogP3 8.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 384.339216023 g/mol
Monoisotopic Mass 384.339216023 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 641
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Desmosterol is a cholestanoid that is cholesta-5,24-diene substituted by a beta-hydroxy group at position 3. It is an intermediate metabolite obtained during the synthesis of cholesterol. It has a role as a human metabolite and a mouse metabolite. It is a 3beta-sterol, a cholestanoid, a C27-steroid and a 3beta-hydroxy-Delta(5)-steroid.