2D structurePubChem CID 698
Aitheantas
Ketohydroxy-Estratriene
Gan liostú · C18H22O2
01Aitheantas
| Lazychem ID | LC-54730 |
|---|---|
| CAS RN | Gan liostú |
| PubChem CID | 698 |
| Molecular formula | C18H22O2 |
| Molecular weight | 270.4 g/mol |
| IUPAC name | 3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| InChIKey | DNXHEGUUPJUMQT-UHFFFAOYSA-N |
02Struchtúr agus steiréicheimic
2D structurePubChem CID 698
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
|---|---|
| InChI | Gan liostú |
03Stereochemistry
The published structure contains 0 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres4Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction
Published same-connectivity configurations
3 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
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.
04Stádas san India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ainmneacha agus gaolta
API agus máthairdhruga
Gan liostú
Ainmneacha agus gaolta
06Foinsí
- S01PubChem CID 698
Structure and machine-readable chemical identifiers.