rac-(2RS,3RS,5SR)-3-benzoyloxy-2-ethyl-5-heptadecyl-delta-valerolactone

HCID 67808146
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCC1CC(OC(=O)c2ccccc2)C(CC)C(=O)O1
InChIKey
WYVMEZMZIZKNEB-UHFFFAOYSA-N
Molecular formula
C31H50O4
Average molar mass
486.7 g/mol

Names & identifiers

Preferred name
rac-(2RS,3RS,5SR)-3-benzoyloxy-2-ethyl-5-heptadecyl-delta-valerolactone
IUPAC
(3-ethyl-6-heptadecyl-2-oxooxan-4-yl) benzoate

Names & synonyms

SCHEMBL9262779WYVMEZMZIZKNEB-UHFFFAOYSA-Nrac-(2RS,3RS,5SR)-3-benzoyloxy-2-ethyl-5-heptadecyl-delta-valerolactone

Database identifiers

PubChem CID
67808146

Properties

Computed structural properties

XLogP
11.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
20
Heavy atoms
35

Related reactions

1 records
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Linked notes

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