2D structurePubChem CID 25630959
Identità
Ricinoleate
Mhux elenkat · C18H33O3-
01Identità
| Lazychem ID | LC-100975 |
|---|---|
| CAS RN | Mhux elenkat |
| PubChem CID | 25630959 |
| Molecular formula | C18H33O3- |
| Molecular weight | 297.5 g/mol |
| IUPAC name | (Z,12R)-12-hydroxyoctadec-9-enoate |
| InChIKey | WBHHMMIMDMUBKC-QJWNTBNXSA-M |
02Struttura u stereokimika
2D structurePubChem CID 25630959
The parsed structure is acyclic, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])O |
|---|---|
| InChI | Mhux elenkat |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.
04Status fl-Indja
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ismijiet u relazzjonijiet
API u mediċina prinċipali
Mhux elenkat
Ismijiet u relazzjonijiet
- ricinoleate
- (9Z,12R)-12-hydroxyoctadecenoate
- (9Z,12R)-12-hydroxyoctadec-9-enoate
- CHEBI:91295
- RefChem:1098112
- WBHHMMIMDMUBKC-QJWNTBNXSA-M
- (12R)-hydroxy-(9Z)-octadecenoate
- (Z,12R)-12-hydroxyoctadec-9-enoate
- Q27163197
06Sorsi
- S01PubChem CID 25630959
Structure and machine-readable chemical identifiers.