Celastrol

• CAS: 34157-83-0
• Catalog Number: ACM34157830
• Category: Other Products
• Molecular Weight: 450.61
• Molecular Formula: C29H38O4
• Synonyms: 2-Oxo-3-hydroxy-24-norfriedelane-1(10),3,5,7-tetraene-29-oic acid
• IUPAC Name: (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
• Canonical 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
• InChI: InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
• InChI Key: KQJSQWZMSAGSHN-JJWQIEBTSA-N
• Boiling Point: 645.7±55.0 °C
• Melting Point: 219-230 °C
• Density: 1.2 g/ml
• Appearance: Red powder
• Hazard Statements: T
• pKa: 4.78±0.70
• Safety Description: 45
• Supplemental Hazard Statements: H301
• Symbol: GHS06

Custom Q&A

What is the molecular formula of celastrol?

The molecular formula of celastrol is C29H38O4.

What is the molecular weight of celastrol?

The molecular weight of celastrol is 450.6 g/mol.

What is the IUPAC name of celastrol?

The IUPAC name of celastrol is (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.

What are some synonyms for celastrol?

Some synonyms for celastrol include tripterin and tripterine.

In which organisms is celastrol found as a natural product?

Celastrol is a natural product found in Reissantia buchananii, Crossopetalum gaumeri, and other organisms with available data.

What is the InChIKey for celastrol?

The InChIKey for celastrol is KQJSQWZMSAGSHN-JJWQIEBTSA-N.

What is the Canonical SMILES representation of celastrol?

The Canonical SMILES representation of celastrol is CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O.

What is the EC Number for celastrol?

The European Community (EC) Number for celastrol is 636-472-5.

What is the XLogP3-AA value for celastrol?

The XLogP3-AA value for celastrol is 5.9.

What is the role of celastrol according to the description?

Celastrol is described as an antioxidant, anti-inflammatory agent, DNA topoisomerase inhibitor, antineoplastic agent, Hsp90 inhibitor, and metabolite.