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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H58O4
Molecular Weight 554.8433
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFESTOL PALMITATE

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]4(C)CCC5=C(C=CO5)[C@H]4CC3

InChI

InChIKey=DGPMHJKMSANHDM-SMDVAALKSA-N
InChI=1S/C36H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)40-27-36(38)26-35-23-19-30-29-21-24-39-31(29)20-22-34(30,2)32(35)18-17-28(36)25-35/h21,24,28,30,32,38H,3-20,22-23,25-27H2,1-2H3/t28-,30-,32+,34-,35+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H58O4
Molecular Weight 554.8433
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
P8W9M3T86Y
Record Status Validated (UNII)
Record Version