2D structurePubChem CID 10114
Tunnistetiedot
Enoxolone
CAS 471-53-4 · C30H46O4
01Tunnistetiedot
| Lazychem ID | LC-100953 |
|---|---|
| CAS RN | 471-53-4 |
| PubChem CID | 10114 |
| Molecular formula | C30H46O4 |
| Molecular weight | 470.7 g/mol |
| IUPAC name | (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
| InChIKey | MPDGHEJMBKOTSU-YKLVYJNSSA-N |
02Rakenne ja stereokemia
2D structurePubChem CID 10114
The parsed structure contains 5 rings, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 9 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O |
|---|---|
| InChI | Ei ilmoitettu |
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
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.
2D structurePubChem CID 73398
2D structurePubChem CID 70532701
Enoxolone EP Impurity A/ 18α-Glycyrrhetinic Acid (Free Base)
CAS 1449-05-4
MPDGHEJMBKOTSU-LBAYWFTBSA-N
8 defined, 1 unassigned centres
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.
04Tila Intiassa
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nimet ja suhteet
API ja emolääke
Ei ilmoitettu
Nimet ja suhteet
- enoxolone
- Glycyrrhetic acid
- 471-53-4
- GLYCYRRHETINIC ACID
- Uralenic acid
- 18-beta-Glycyrrhetinic acid
- Enoxolona
- 3beta-Hydroxy-11-oxoolean-12-en-30-oic acid
- Enoxolonum
- Rhetinic Acid
- DTXSID9020669
- NSC-35347
06Lähteet
- S01PubChem CID 10114
Structure and machine-readable chemical identifiers.