CAS 604-35-3 Cholesterol acetate - Materials / Alfa Chemistry

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Liquid Crystal (LC) Building Blocks

Cholesterol acetate

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Catalog Number

ACM604353-1

Product Name

Cholesterol acetate

Structure

CAS

604-35-3

Category

Liquid Crystal (LC) Building Blocks

Synonyms

Cholest-5-en-3-beta-yl acetate

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] acetate

Molecular Weight

428.69

Molecular Formula

C29H48O2

Canonical SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C

InChI

XUGISPSHIFXEHZ-VEVYEIKRSA-N

InChI Key

InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1

Melting Point

112-114 °C (lit.)

Density

0.99g/ml

Complexity

693

Covalently-Bonded Unit Count

EC Number

210-066-4

Exact Mass

428.365431g/mol

Formal Charge