(2R,4aS,6aS,12bR,14aS,14bR)-9-Formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid

Basic Information

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CAS Number

107316-88-1

Molecular Formula

C29H36O6

Molecular Weight

480.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Yellow powder

Solubility

,DMF

SMILES

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O=Cc1c(O)c(O)cc3c1C(=O)\C=C4\[C@@]5(C)CC[C@]2(CC[C@@](C(=O)O)(C[C@H]2[C@@]5(CC[C@@]34C)C)C)C

InChI

InChI=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)/t21-,25-,26-,27+,28-,29+/m1/s1

InChIKey

ZDZSFWLPCFRASW-CPISFEQASA-N

LogP

5.788200000000005

Topological Polar Surface Area

111.89999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

1000

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Demethylzeylasteral
(9beta,13alpha,14beta,20alpha)-2,3-Dihydroxy-9,13-dimethyl-6,23-dioxo-24,25,26-trinoroleana-1,3,5(10),7-tetraen-29-oic acid
A-Friedo-24-noroleana-1,3,5(10),7-tetraen-29-oicacid
Y0066
N2763
s3608
TZ 93

MDL Number

MFCD16660658

FAQ

What are the physical and chemical properties of (2R,4aS,6aS,12bR,14aS,14bR)-9-Formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid (CAS: 107316-88-1)?

This compound is a complex organic molecule with a high molecular weight due to its long carbon chain. It crystallizes in the form of needles at a specific melting point. The compound is slightly soluble in common organic solvents like ethanol and acetone but is insoluble in water. Chemically, it is reactive towards nucleophiles and bases. It features a formyl group, hydroxyl groups, and methyl groups, which contribute to its reactivity and solubility characteristics.

How is (2R,4aS,6aS,12bR,14aS,14bR)-9-Formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid (CAS: 107316-88-1) typically synthesized?

This compound can be synthesized via a multi-step process involving condensation reactions, alkylation, and oxidation steps. Commonly, methylation followed by selective oxidation to form the formyl group, and subsequent hydroxylation are used. The reaction typically requires mild to moderate conditions and can be catalyzed by transition metals or organic reagents, ensuring high selectivity and yield.

What industries use (2R,4aS,6aS,12bR,14aS,14bR)-9-Formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid (CAS: 107316-88-1)?

This compound is used in various industries, including pharmaceuticals for developing specific drug candidates, polymers for creating advanced materials, and sensors for detecting specific analytes. It can also find applications in semiconductor technology for certain manufacturing processes.

What precautions should be taken when handling (2R,4aS,6aS,12bR,14aS,14bR)-9-Formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid (CAS: 107316-88-1)?

Proper handling requires following standard laboratory safety protocols. Wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Follow the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency spill procedures. Ensure proper storage under controlled conditions to prevent degradation.