2D structurePubChem CID 14258217
Identiteet
Phytomenadione
Pole loetletud · C31H48O2
01Identiteet
| Lazychem ID | LC-44245 |
|---|---|
| CAS RN | Pole loetletud |
| PubChem CID | 14258217 |
| Molecular formula | C31H48O2 |
| Molecular weight | 452.7 g/mol |
| IUPAC name | 2,5-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrobenzo[h]chromen-6-ol |
| InChIKey | UOSGFQBEJZPZDJ-UHFFFAOYSA-N |
02Struktuur ja stereokeemia
2D structurePubChem CID 14258217
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)CCCC(C)CCCC(C)CCCC(C)C)O |
|---|---|
| InChI | Pole loetletud |
03Stereochemistry
The published structure contains 0 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres3Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Staatus Indias
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nimed ja seosed
API ja lähteravim
Pole loetletud
Nimed ja seosed
- Phytomenadione/Vitamin K1 Impurity 101
06Allikad
- S01PubChem CID 14258217
Structure and machine-readable chemical identifiers.