313-04-2
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 |
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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 |
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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.