b-Cryptoxanthin palmitate
PubChem CID: 12097311
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| Compound Synonyms | b-Cryptoxanthin palmitate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | YAOOAGLXXPOKMH-UTEGAOKCSA-N |
| Rotatable Bond Count | 26.0 |
| Synonyms | b-Cryptoxanthin palmitate, b-Cryptoxanthin, Hexadecanoyl |
| Heavy Atom Count | 58.0 |
| Compound Name | b-Cryptoxanthin palmitate |
| Description | B-cryptoxanthin palmitate is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. B-cryptoxanthin palmitate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). B-cryptoxanthin palmitate can be found in papaya, which makes B-cryptoxanthin palmitate a potential biomarker for the consumption of this food product. |
| Exact Mass | 790.663 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 790.663 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1600.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 791.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] hexadecanoate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 9.0 |
| Inchi | InChI=1S/C56H86O2/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-37-54(57)58-51-43-50(7)53(56(10,11)44-51)41-39-48(5)35-28-33-46(3)31-26-25-30-45(2)32-27-34-47(4)38-40-52-49(6)36-29-42-55(52,8)9/h25-28,30-35,38-41,51H,12-24,29,36-37,42-44H2,1-11H3/b26-25+,32-27+,33-28+,40-38+,41-39+,45-30+,46-31+,47-34+,48-35+ |
| Smiles | CCCCCCCCCCCCCCCC(=O)OC1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C)/C)/C)C |
| Xlogp | 20.2 |
| Defined Bond Stereocenter Count | 9.0 |
| Molecular Formula | C56H86O2 |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all