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80-99-9

80-99-9 structural image
Product Name: LATHOSTEROL
Formula: C27H46O
Synonyms: 3β-Hydroxy-5α,7-cholestene;5α-cholest-7-en-3β-ol;Lathosterol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 122.0 °C
Collision Cross Section 204.5 Ų [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 386.7 g/mol
XLogP3 8.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 386.354866087 g/mol
Monoisotopic Mass 386.354866087 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 591
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

5alpha-cholest-7-en-3beta-ol is a cholestanoid that is (5alpha)-cholest-7-ene substituted by a beta-hydroxy group at position 3. It has a role as a human metabolite and a mouse metabolite. It is a 3beta-sterol, a cholestanoid, a C27-steroid and a Delta(7)-sterol.