Cholesteryl 11-14 eicosadienoate

CAS

70110-48-4

Catalog Number

ACM70110484

Category

Cholesteryl Esters

Molecular Weight

677.14

Molecular Formula

C47H80O2

MSDS COA Spec Sheet

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Specification

Synonyms

(11Z,14Z)-11,14-Lcosadienoic acid 3β-cholesteryl ester

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] (11E,14E)-icosa-11,14-dienoate

Canonical SMILES

CCCCCC=CCC=CCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

InChI

InChI=1S/C47H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11+,15-14+/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

InChI Key

REFJKOQDWJELKE-XKFOCWSQSA-N

CNo.Chain

C20:2

Complexity

1050

Compound Derivative

11-14 eicosadienoate

Exact Mass

676.61583179

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C