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HCID 65728Erstellt: 26. Oktober 2026

Lathosterol

LATHOSTEROL · -Cholestenol · γ-Cholestenol · GAMMA-CHOLESTENOL · Cholest-7-en-3-ol · gamma-cholesterol · DELTA7-Cholestenol · 7-En-3-cholestanol

https://huagongshe.com/de/chemical/65728

Molekülstruktur von Lathosterol

Identifikatoren & physikalische Daten

CAS No.80-99-9
SummenformelC27H46O
Durchschnittliche Molmasse386,7 g/mol
Monoisotopische Masse386,35486609 g/mol
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKeyIZVFFXVYBHFIHY-SKCNUYALSA-N
PubChem CID65728
ChEMBLCHEMBL3138639
ChEBICHEBI:17168
DTXSIDDTXSID501015889

Chemische & physikalische Eigenschaften

XLogP8,3
Polarare Oberfläche (TPSA)20,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen5
Schwere Atome28
Formalladung0
Komplexität591
LipideLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]
Schmelzpunkt122.0 °C126°C
Physical DescriptionSolid
Collision Cross Section204 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]204.5 Ų [M+H-H2O]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]
Siedepunkt452.8°C (rough estimate)
Dichte0.9610 (rough estimate)
Brechungsindex1.5250 (estimate)
Lagerbedingungen-20°C
LöslichkeitChloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Sonicated)
AggregatzustandSolid
pKa (Säurekonstante)15.10±0.70(Predicted)
FarbeWhite to Off-White
InChI1S/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
InChIKeyIZVFFXVYBHFIHY-UHFFFAOYSA-N
SMILESOC1CC2C(C3CCC4(C(CCC4C(CCCC(C)C)C)C3=CC2)C)(CC1)C

Sicherheit & Vorschriften

Wassergefährdungsklasse (WGK)3
RTECS-Nr.FZ7000000
Lagerklasse11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

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.