2D structurePubChem CID 5283638
Identidade
Clerosterol
CAS 2364-23-0 · C29H48O
01Identidade
| Lazychem ID | LC-100843 |
|---|---|
| CAS RN | 2364-23-0 |
| PubChem CID | 5283638 |
| Molecular formula | C29H48O |
| Molecular weight | 412.7 g/mol |
| IUPAC name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChIKey | GHGKPLPBPGYSOO-FBZNIEFRSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 5283638
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 | CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=C)C |
|---|---|
| InChI | Não indicado |
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
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.
04Estado na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
- Clerosterol
- 2364-23-0
- Poriferasta-5,25-dien-3beta-ol
- (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- RefChem:905543
- Stigmasta-5,25-dien-3-ol, (3beta,24S)-
- 5,25-Stigmastadienol
- NSC144945
- SCHEMBL598225
- CHEMBL252365
- orb1984211
- CHEBI:166817
06Fontes
- S01PubChem CID 5283638
Structure and machine-readable chemical identifiers.