5,7-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
PubChem CID: 14160515
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| Compound Synonyms | (1R,2R,5S,7S,8R,9S,10R,11R)-5,7-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid, 5,7-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid, 105593-16-6 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | VSDJZJDZDIIVFU-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | GA67, Gibberellin A67, Hepes, Hepes hemisodium salt, Hepes sodium salt, sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate, sodium 4-(2-hydroxyethyl)piperazin-1-ylethanesulphonate, Tetradecyltrimethylonium, Tetradecyltrimethylphosphonium |
| Heavy Atom Count | 25.0 |
| Compound Name | 5,7-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Description | Constituent of seeds of sunflower (Helianthus annuus). Gibberellin A67 is found in sunflower. |
| Exact Mass | 348.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.157 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 731.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 348.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H24O6/c1-9-13(20)18-8-17(9,24)7-4-10(18)19-6-3-5-16(2,15(23)25-19)12(19)11(18)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22) |
| Smiles | CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5O)O)C(=O)O)OC2=O |
| Xlogp | 0.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H24O6 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all