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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H93NO4
Molecular Weight 724.2349
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Lignoceroyl-C22-phytosphingosine

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCCC

InChI

InChIKey=LPDDNEQYMLGQJE-DTLWHLCPSA-N
InChI=1S/C46H93NO4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-45(50)47-43(42-48)46(51)44(49)40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h43-44,46,48-49,51H,3-42H2,1-2H3,(H,47,50)/t43-,44+,46-/m0/s1

HIDE SMILES / InChI

Molecular Formula C46H93NO4
Molecular Weight 724.2349
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
HBC4AJ9FXM
Record Status Validated (UNII)
Record Version