2D structurePubChem CID 5283731
Ταυτότητα
25-Hydroxyvitamin D3
Δεν αναφέρεται · C27H44O2
01Ταυτότητα
| Lazychem ID | LC-49092 |
|---|---|
| CAS RN | Δεν αναφέρεται |
| PubChem CID | 5283731 |
| Molecular formula | C27H44O2 |
| Molecular weight | 400.6 g/mol |
| IUPAC name | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| InChIKey | JWUBBDSIWDLEOM-DTOXIADCSA-N |
02Δομή και στερεοχημεία
2D structurePubChem CID 5283731
The parsed structure contains 3 rings, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 5 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C |
|---|---|
| InChI | Δεν αναφέρεται |
03Stereochemistry
The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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.
2D structurePubChem CID 91864756
(3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol
CAS not listed
JWUBBDSIWDLEOM-LQOOILFQSA-N
5 defined, 0 unassigned centres
2D structurePubChem CID 154701712
2D structurePubChem CID 6506392
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.
04Κατάσταση στην Ινδία
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ονόματα και σχέσεις
API και μητρικό φάρμακο
Δεν αναφέρεται
Ονόματα και σχέσεις
06Πηγές
- S01PubChem CID 5283731
Structure and machine-readable chemical identifiers.