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Details

Stereochemistry ABSOLUTE
Molecular Formula C56H113NO4
Molecular Weight 864.5007
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Octatriacontanoyl Phytosphingosine

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

InChI

InChIKey=REUHUTQZKMFVEE-JJEZHPPHSA-N
InChI=1S/C56H113NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-55(60)57-53(52-58)56(61)54(59)50-48-46-44-42-40-16-14-12-10-8-6-4-2/h53-54,56,58-59,61H,3-52H2,1-2H3,(H,57,60)/t53-,54+,56-/m0/s1

HIDE SMILES / InChI

Molecular Formula C56H113NO4
Molecular Weight 864.5007
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VBP6QUV9H6
Record Status Validated (UNII)
Record Version