Chemische Enzyklopädie / Pharmaceutical Intermediates / Hormones and synthetic substitutes / Laboratory Chemicals

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. Mehr anzeigen+

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Namen und Bezeichner
SDB-Informationen
NMR Spektrum
Computerchemische Daten

1. Namen und Bezeichner

1.1 Produktname: Lathosterol

1.2 Synonyme: 3β-Hydroxy-5α,7-cholestene, Lathosterol

1.3 CAS No.: 80-99-9

1.4 CID: 65728

1.5 Summenformel: Lathosterol

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 InchiKey: IZVFFXVYBHFIHY-SKCNUYALSA-N

1.8 Kanonisch SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C

1.9 Isomere 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. SDB-Informationen

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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3. NMR Spektrum

Mass spectrum (electron ionization)

4. Synthetischer Weg.

80-99-9Total: 11 Synthetischer Weg.

57-88-5 360 Lieferanten

80-99-9 6 Lieferanten

434-16-2 99 Lieferanten

80-99-9 6 Lieferanten

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5. Vorläufer und Produkt

Vorläufer:

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

Produkt:

29374-80-9

6. Computerchemische Daten

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==