2D structurePubChem CID 66066
Aitheantas
Epidihydrocholesterin
Gan liostú · C27H48O
01Aitheantas
| Lazychem ID | LC-53362 |
|---|---|
| CAS RN | Gan liostú |
| PubChem CID | 66066 |
| Molecular formula | C27H48O |
| Molecular weight | 388.7 g/mol |
| IUPAC name | (3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChIKey | QYIXCDOBOSTCEI-FBVYSKEZSA-N |
02Struchtúr agus steiréicheimic
2D structurePubChem CID 66066
The parsed structure contains 4 rings, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 9 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C |
|---|---|
| InChI | Gan liostú |
03Stereochemistry
The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction
Published same-connectivity configurations
4 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 66066
Structure and machine-readable chemical identifiers.