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Merck
CN

C7259

Cholesteryl erucate

≥95%

Synonym(s):

3β-Hydroxy-5-cholestene 3-erucate, 5-Cholesten-3β-ol 3-erucate, Cholesteryl cis-13-docosenoate

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About This Item

Empirical Formula (Hill Notation):
C49H86O2
CAS Number:
Molecular Weight:
707.21
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352202
EC Number:
246-292-5
MDL number:
Assay:
≥95%
Form:
powder
Quality level:
Technical Service
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InChI key

SQHUGNAFKZZXOT-QXAJUEOOSA-N

InChI

1S/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

SMILES string

CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C

assay

≥95%

form

powder

storage temp.

−20°C

Quality Level

Packaging

Sealed ampule.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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