Helianyl octanoate
PubChem CID: 131752338
Connections displayed (default: 10).
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| Compound Synonyms | Helianyl octanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | AFZHQMQGUKDWSJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 15.0 |
| Synonyms | Helianyl octanoate |
| Heavy Atom Count | 40.0 |
| Compound Name | Helianyl octanoate |
| Description | Constituent of Helianthus annuus (sunflower). Helianyl octanoate is found in sunflower and fats and oils. |
| Exact Mass | 554.506 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 554.506 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 889.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 554.9 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[3a,5a,9b-trimethyl-3-(6-methylhept-5-en-2-yl)-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl octanoate |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C38H66O2/c1-10-11-12-13-14-20-35(39)40-27-16-19-33-31(29(4)5)21-22-34-36(33,7)25-26-37(8)32(23-24-38(34,37)9)30(6)18-15-17-28(2)3/h17,30,32-34H,10-16,18-27H2,1-9H3 |
| Smiles | CCCCCCCC(=O)OCCCC1C(=C(C)C)CCC2C1(CCC3(C2(CCC3C(C)CCC=C(C)C)C)C)C |
| Xlogp | 13.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C38H66O2 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all