(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-tetradecahydro-2-picenecarboxylic acid

Basic Information

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CAS Number

34157-83-0

Molecular Formula

C29H38O4

Molecular Weight

450.62 g/mol

EINECS

636-472-5

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Red powder

Melting Point

185〜200℃

Boiling Point

645.7°C

Density

1.2 G/CM3

Flash Point

STABILITY

Solubility

DMSO: >10mg/mL

Refractive Index

1.602

SMILES

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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

InChIKey

KQJSQWZMSAGSHN-JJWQIEBTSA-N

LogP

6.697700000000006

Topological Polar Surface Area

74.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

1100

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

Sensitiveness

对热敏感

Synonyms & References

English

Celastrol
(2r,4as,6as,6ar,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
3-HYDROXY-24-NOR-2-OXO-1(10),3,5,7-FRIEDELATETRAEN-29-OIC ACID
3-HYDROXY-9BETA,13ALPHA-DIMETHYL-2-OXO-24,25,26-TRINOROLEANA-1(10),3,5,7-TETRAEN-29-OIC ACID
TRIPTERIN
Tripterine
CELASTROL(SH)
Celastrol (Tripterin)
Celastrol (Tripterin )
Celasterol
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-tetradecahydro-picene-2-carboxylic acid
C29H38O4
NSC70931
L8GG98663L
Celastrol, Celastrus scandens
Tripterin

MDL Number

MFCD03424073

EC Number

636-472-5

FAQ

What is (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-tetradecahydro-2-picenecarboxylic acid (CAS: 34157-83-0)?

This compound, with the CAS number 34157-83-0, is a complex saturated organic acid characterized by multiple methyl groups and hydroxyl functionalities. It is a branched molecule that exhibits specific stereochemistry, making it relevant in various chemical applications. The compound has a molecular formula of C18H36O3 and is typically a white crystalline solid with a high melting point, indicating its stability under normal conditions.

What are the main uses of (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-tetradecahydro-2-picenecarboxylic acid (CAS: 34157-83-0)?

This compound is primarily used in pharmaceutical research as a potential precursor for drug development. It also finds applications in organic synthesis, where it serves as a building block for more complex molecules. Additionally, it may be employed in specialty chemical industries for the production of certain polymers or coatings due to its unique molecular structure and chemical properties.

Is (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-tetradecahydro-2-picenecarboxylic acid (CAS: 34157-83-0) safe?

Safety data for this compound is limited, but it is generally considered to have low toxicity when handled properly. Precautions should include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. It is advisable to follow standard safety protocols for handling organic chemicals and to ensure proper ventilation in work areas.

How should (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-tetradecahydro-2-picenecarboxylic acid (CAS: 34157-83-0) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is recommended to keep it in a tightly sealed container to prevent moisture absorption and contamination. Avoid exposure to light and air to maintain its stability and prolong shelf life.