(all-E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial
PubChem CID: 11102033
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| Compound Synonyms | 4,4'-diapo-psi,psi-carotenedial, (all-E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial, (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial, 5056-18-8, SCHEMBL2832986, CHEBI:62450, DTXSID301105050, C19798, Q27131910, (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,20,22-tetracosaundecaenedial |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 869.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial |
| Prediction Hob | 0.0 |
| Xlogp | 9.1 |
| Molecular Formula | C30H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBHXTIIHLYSQRY-RAGRHNDSSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.714 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.224 |
| Compound Name | (all-E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 428.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 428.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 428.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 11.0 |
| Esol | -7.4384192 |
| Inchi | InChI=1S/C30H36O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h7-24H,1-6H3/b8-7+,15-9+,16-10+,19-11+,20-12+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+ |
| Smiles | C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=O)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=O)\C)\C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 11.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients