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Cholesterol Nonyl Carbonate, ≥95%

Catalog Number
ACM15455831-1
CAS Number
15455-83-1
Product Name
Cholesterol Nonyl Carbonate, ≥95%
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] nonyl carbonate
Molecular Weight
556.9g/mol
Molecular Formula
C37H64O3
Canonical SMILES
CCCCCCCCCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
InChI
InChI=1S/C37H64O3/c1-7-8-9-10-11-12-13-25-39-35(38)40-30-21-23-36(5)29(26-30)17-18-31-33-20-19-32(28(4)16-14-15-27(2)3)37(33,6)24-22-34(31)36/h17,27-28,30-34H,7-16,18-26H2,1-6H3/t28-,30+,31+,32-,33+,34+,36+,37-/m1/s1
InChI Key
CLVJSPXXNWCOJH-IATSNXCDSA-N
Complexity
831
Covalently-Bonded Unit Count
1
Exact Mass
556.485546g/mol
Formal Charge
0
Heavy Atom Count
40
Monoisotopic Mass
556.485546g/mol
Rotatable Bond Count
16
XLogP3
13.5
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