Velutinal, 6-keto-stearoyl
Basic information
- CAS
86533-37-1- Standard SMILES
CCCCCCCCCCCCC(=O)CCCCC(=O)OC1OCC23OC2C2CC(C)(C)CC2C2(C)CC123- InChIKey
LQLFHXZIYQNUFS-UHFFFAOYSA-N- Molecular formula
- C33H54O5
- Average molar mass
- 530.8 g/mol
- Monoisotopic mass
- 530.39712482
Names & identifiers
- Preferred name
- Velutinal, 6-keto-stearoyl
- IUPAC
- (6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl) 6-oxooctadecanoate
Names & synonyms
NSC37571786533-37-1VELUTINAL, 6-KETO-STEAROYLDTXSID00331149NSC-3757175a,7,7-Trimethyloctahydro-2H,4H-cyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl 6-oxooctadecanoate
Database identifiers
- CAS
86533-37-1- PubChem CID
- 435762
- DTXSID
DTXSID00331149
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 867
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Compound notes
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