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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

[H][C@@]12C[C@]3(C[C@]1(O)COC(=O)CCCCCCCCCCCCCCC)CC[C@]4([H])C5=C(CC[C@@]4(C)[C@]3([H])CC2)OC=C5

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

Approval Year