CAS 1182-66-7 | Cholesteryl pelar GOnate | CAS Number 1182-66-7

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1182-66-7 | Cholesteryl pelar GOnate

CAS No: 1182-66-7 Catalog No: AG003OVL MDL No:MFCD00003643

Product Description

Catalog Number:

AG003OVL

Chemical Name:

Cholesteryl pelar GOnate

CAS Number:

1182-66-7

Molecular Formula:

C36H62O2

Molecular Weight:

526.8763

MDL Number:

MFCD00003643

IUPAC Name:

[(3S,8S,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] nonanoate

InChI:

InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1

InChI Key:

WCLNGBQPTVENHV-MKQVXYPISA-N

SMILES:

CCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C

EC Number:

214-658-3

UNII:

4313O7P4XW

Properties

Complexity:

797

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

526.475g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

526.89g/mol

Monoisotopic Mass:

526.475g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

12.7

Literature

Title	Journal
Molecular dynamics in rod-like liquid crystals probed by muon spin resonance spectroscopy.	The journal of physical chemistry. B 20110804
Solvent vapour detection with cholesteric liquid crystals--optical and mass-sensitive evaluation of the sensor mechanism.	Sensors (Basel, Switzerland) 20100101
Viscosity peaks at the cholesteric-isotropic phase transitions.	Physical review. E, Statistical, nonlinear, and soft matter physics 20050501
Manufacturing factors affecting the drug delivery function of thermo-responsive membrane prepared by adsorption of binary liquid crystals.	European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20021101
Precision and reproducibility of temperature response of a thermo-responsive membrane embedded by binary liquid crystals for drug delivery.	Journal of controlled release : official journal of the Controlled Release Society 20010615