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Cholesterol N-amyl carbonate

Catalog Number
ACM15455795
CAS Number
15455-79-5
Product Name
Cholesterol N-amyl carbonate
Structure
Category
Liquid Crystal (LC) Materials
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] pentyl carbonate
Molecular Weight
500.8g/mol
Molecular Formula
C33H56O3
Canonical SMILES
CCCCCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
InChI
InChI=1S/C33H56O3/c1-7-8-9-21-35-31(34)36-26-17-19-32(5)25(22-26)13-14-27-29-16-15-28(24(4)12-10-11-23(2)3)33(29,6)20-18-30(27)32/h13,23-24,26-30H,7-12,14-22H2,1-6H3/t24-,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChI Key
AXZGKUVSDXMPGA-FLFWOSPYSA-N
Complexity
771
Covalently-Bonded Unit Count
1
Exact Mass
500.422946g/mol
Formal Charge
0
Heavy Atom Count
36
Monoisotopic Mass
500.422946g/mol
Rotatable Bond Count
12
XLogP3
11.3
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