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LATHOSTEROL

CAS：80-99-9
MW:386.65354
MF：C27H46O

A Cholesterol (C432501) metabolite. Lathosterol (indicating cholesterol synthesis) and Sitosterol (indicating cholesterol absorption) also decreased with deteriorating health. Low Lathosterol, Sitosterol (S497050), and Cholesterol (C432501) predicted mortality additively and independently of each other. View more+

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data

1. Names and Identifiers

1.1 Name: LATHOSTEROL

1.2 Synonyms: (3-beta,5-alpha)-cholest-7-en-3-o; (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (5α,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholest-7-en-3-ol; 3BETA-HYDROXY-5ALPHA,7-CHOLESTENE; 3beta-Hydroxy-5alpha-cholest-7-ene; 3β-Hydroxy-5α,7-cholestene; 5ALPHA-CHOLEST-7-EN-3BETA-OL; 5α-Cholest-7-en-3Β-ol; 7,(5-ALPHA)-CHOLESTEN-3-BETA-OL; 7-Cholesten-3-beta-ol; 7-cholestenol; Cholest-7-en-3beta-ol; Cholest-7-en-3-ol; Cholest-7-en-3-ol, (5α,9ξ,10ξ,13ξ,14ξ,17ξ)-; GAMMA-CHOLESTENOL;

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1.3 CAS No.: 80-99-9

1.4 CID: 65728

1.5 Molecular Formula: C27H46O

1.6 Inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1

1.7 InChkey: IZVFFXVYBHFIHY-SKCNUYALSA-N

1.8 Canonical Smiles: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C

1.9 Isomers Smiles: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C

2. Properties

2.1 StorageTemp: -20°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A cholestanoid that is (5alpha)-cholest-7-ene substituted by a beta-hydroxy group at position 3. LATHOSTEROLSupplier

3.2 Description: Lathosterol is a cholesterol-like molecule. Serum Lathosterol concentration is an indicator of whole-body cholesterol synthesis.

3.3 Usage: A Cholesterol (C432501) metabolite. Lathosterol (indicating cholesterol synthesis) and Sitosterol (indicating cholesterol absorption) also decreased with deteriorating health. Low Lathosterol, Sitosterol (S497050), and Cholesterol (C432501) predicted mortality additively and independently of each other.

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4. Safety and Handling

4.1 Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
WGK Germany: 3
RTECS: FZ7000000

4.2 Specification: usageEng:A Cholesterol (C432501) metabolite. Lathosterol (indicating cholesterol synthesis) and Sitosterol (indicating cholesterol absorption) also decreased with deteriorating health. Low Lathosterol, Sitosterol (S497050), and Cholesterol (C432501) predicted mortality additively and independently of each other.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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6. NMR Spectrum

Mass spectrum (electron ionization)

7. Synthesis Route

80-99-9Total: 11 Synthesis Route

57-88-5 360 Suppliers

80-99-9 6 Suppliers

434-16-2 99 Suppliers

80-99-9 6 Suppliers

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8. Precursor and Product

precursor:

16826-37-2

64-17-5

40823-41-4

15459-85-5

809-51-8

57-88-5

434-16-2

137637-33-3

6038-38-6

product:

29374-80-9

9. Computed Properties

Molecular Weight：386.65354g/mol
Molecular Formula：C₂₇H₄₆O
Compound Is Canonicalized：True
Exact Mass：8.3
XLogP3-AA：386.354866087
Monoisotopic Mass：386.354866087
Complexity：591
Rotatable Bond Count：5
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.2
Heavy Atom Count：：28
Defined Atom Stereocenter Count：8
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAADAAAYAACAAAQAACAAAAA==

10.Other Information

Uses: A Cholesterol (C432501) metabolite. Lathosterol (indicating cholesterol synthesis) and Sitosterol (indicating cholesterol absorption) also decreased with deteriorating health. Low Lathosterol, Sitosterol (S497050), and Cholesterol (C432501) predicted mortality additively and independently of each other.

View all