Celastrol
(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Also Known As: celastrol|Tripterin|Tripterine|Celasterol|triterpene|Celastrol?|Celastrol,Tripterin|Celastrol (>85%)|Celastrol (Standard)|Celastrol, Celastrus scandens|Spectrum_000335|Pristimerin (Celastrol)|CELASTROL [MI]|CELASTROL 25MG|Spectrum2_000150|Spectrum3_000233|Spectrum4_001966|Spectrum5_000805|BSPBio_001905|KBioGR_002436|KBioSS_000815|SPECTRUM201664|DivK1c_000718|34157-83-0 (castrol)|SPBio_000260|2,5-Dibromo-4-methylpyridine|(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid|11-alpha-hydroxyandrostenedione
| Molecular Formula | C29H38O4 |
|---|---|
| Molecular Weight | 450.277 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 450.277 |
| Heavy Atoms | 33 |
| Complexity | 1104.7 |
Chemical Identifiers
| CAS Number | 34157-83-0 |
|---|---|
| SMILES | CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O |
Product Overview
Celastrol (CAS 34157-83-0), with molecular formula C29H38O4 and molecular weight 450.277 g/mol. IUPAC: (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid.
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