Ergosta-7,22-dien-3-yl linoleate
Basic information
- CAS
138349-20-9- Standard SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(CC=C3[C@@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1- InChIKey
UOJOULYYDYIENL-VEWUCVGJSA-N- Molecular formula
- C46H76O2
- Average molar mass
- 661.1 g/mol
- Monoisotopic mass
- 660.58453166
Overview
from Ganoderma lucidum; structure given in first source
Names & identifiers
- Preferred name
- Ergosta-7,22-dien-3-yl linoleate
- IUPAC
- [(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,12E)-octadeca-9,12-dienoate
- English name
- ergosta-7,22-dien-3-yl linoleate
- Molecular formula
- C46H76O2
- Molecular weight
- 661.09
Names & synonyms
EDYLOErgosta-7,22-dien-3-yl linoleate138349-20-9RefChem:137546Ergosta-7,22-dien-3-ol, 9,12-octadecadienoate, (3beta(9Z,12Z),22E)-[(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,12E)-octadeca-9,12-dienoateErgosta-7,22-dien-3-ol, 3-[(9Z,12Z)-9,12-octadecadienoate], (3β,22E)-
Database identifiers
- CAS
138349-20-9- PubChem CID
- 6449869
Properties
Computed structural properties
- XLogP
- 15.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,090
Physicochemical properties
- Boiling point
- 683.6 · 683.6±55.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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