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1183-04-6

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CAS No.: 1183-04-6
Name: [(3S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] decanoate
Article Data: 7
Molecular Structure:
Molecular Structure of 1183-04-6 ([(3S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] decanoate)
Formula: C37H64 O2
Molecular Weight: 540.914
Synonyms: Cholest-5-en-3-ol(3b)-, decanoate (9CI); Cholesterol,decanoate (6CI,7CI,8CI); Decanoic acid, cholesteryl ester (8CI); 3b-(Decanoyloxy)-5-cholestene;5-Cholesten-3b-olcaprate; Cholest-5-en-3b-ol caprate; Cholesterol 3-decanoate; Cholesterol caprate; Cholesteroln-decylate; Cholesteryl caprate; Cholesteryl caprinate; Cholesteryl decanoate;Cholesteryl decylate; Cholesteryl n-decylate
EINECS: 214-660-4
Density: 0.96g/cm3
Melting Point: 40-42°C
Boiling Point: 587.5°Cat760mmHg
Flash Point: 307.8°C
PSA: 26.30000
LogP: 11.08030
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Chemistry

Molecule structure of Cholesteryl decanoate (CAS NO.1183-04-6):

IUPAC Name: [(3S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,
17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] decanoate
Molecular Weight: 540.90286 [g/mol]
Molecular Formula: C37H64O2 
Index of Refraction: 1.509
Molar Refractivity: 166.606 cm3
Molar Volume: 557.954 cm3 
Surface Tension: 37.656 dyne/cm
Density: 0.969 g/cm3
Flash Point: 307.797 °C
Enthalpy of Vaporization: 87.718 kJ/mol
Boiling Point: 587.488 °C at 760 mmHg
XLogP3-AA: 13.2
H-Bond Acceptor: 2
Rotatable Bond Count: 15
Exact Mass: 540.490631
MonoIsotopic Mass: 540.490631
Topological Polar Surface Area: 26.3
Heavy Atom Count: 39
Canonical SMILES: CCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
Isomeric SMILES: CCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H](C3CC=C2C1)CCC@@H]4[C@H](C)CCCC(C)C)C)C
InChIKey: LJGMGXXCKVFFIS-SWKHNIQGSA-N
EINECS: 214-660-4
Product Categories of Cholesteryl decanoate (CAS NO.1183-04-6): Cholesteryl Compounds (Liquid Crystals); Functional Materials; Liquid Crystals & Related Compounds; Steroids

Safety Profile

WGK Germany: 3

Specification

 Cholesteryl decanoate (CAS NO.1183-04-6) is also named as (3beta)-Cholest-5-en-3-ol, decanoate ; Cholest-5-en-3-beta-yl decanoate ; Cholest-5-en-3-ol (3beta)-, 3-decanoate ; Cholest-5-en-3-ol (3beta)-, decanoate ; Decanoic acid, (3beta)-cholest-5-en-3-yl ester .