Optase
2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoate
Molecular Identity
Optase
2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoate
PubChem CID: 14030006
2D Structure
Properties
C57H104O9
Molecular Formula
933.40
Molecular Weight
g/mol
932.7680
Exact Mass
Da
17.8
XLogP
Above Lipinski threshold
140
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
1110
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)OIsomeric SMILES
SMILES: CCCCCCC(O)C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CC(O)CCCCCC)COC(=O)CCCCCCC/C=C\CC(O)CCCCCCSynonyms(20)
Castor Oil, Technical Grade2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoateCaswell No. 165BOlio di ricino [Italian]XenadermOptaseUNII-D5340Y2I9GCCRIS 4596C57H104O9MFCD00130746HSDB 1933EINECS 232-293-8EPA Pesticide Chemical Code 031608orb1304381SCHEMBL12939325
Data from PubChem (NCBI)
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