(3beta)-3-Hydroxylup-20(29)-en-28-al

Basic Information

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CAS Number

13159-28-9

Molecular Formula

C30H48O2

Molecular Weight

440.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Boiling Point

513.9℃ at 760mmHg

Flash Point

217.4°C

Solubility

N/A

Refractive Index

1.544

SMILES

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CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C=O

InChI

InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1

InChIKey

FELCJAPFJOPHSD-ROUWMTJPSA-N

LogP

7.203800000000009

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

814

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Betulinicaldehyde
3beta-Hydroxy-Lup-20(30)-en-28-al
Betunal
Lup-20(29)-en-28-al, 3beta-hydroxy-
Nsc 250423
Betulinaldehyde
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
0.98
Betulinic aldehyde
Betulinicaldehyde, 97%, Semi-Synthetic
Betulinal
Betulin aldehyde
Jsp001911
FELCJAPFJOPHSD-ROUWMTJPSA-N
AK111255
AX8116629
ST24046137
N1531
Y0042
159B289

MDL Number

MFCD12407180

FAQ

What are the physical and chemical properties of (3beta)-3-Hydroxylup-20(29)-en-28-al (CAS: 13159-28-9)?

(3beta)-3-Hydroxylup-20(29)-en-28-al is a yellow to orange crystalline solid with a molecular weight of approximately 416.67 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is known for its stability under neutral conditions but can be reactive towards strong oxidizing agents.

How is (3beta)-3-Hydroxylup-20(29)-en-28-al (CAS: 13159-28-9) typically synthesized?

(3beta)-3-Hydroxylup-20(29)-en-28-al can be synthesized via a total synthesis approach, involving key steps such as the formation of the triterpene skeleton through sequential cyclization and reduction. Common catalysts include palladium and rhodium complexes. The synthesis typically yields a high purity product, with good selectivity and yield.

What industries use (3beta)-3-Hydroxylup-20(29)-en-28-al (CAS: 13159-28-9)?

(3beta)-3-Hydroxylup-20(29)-en-28-al finds applications in the pharmaceutical industry, where it can be used as a precursor for natural product synthesis. It also has potential uses in the polymer industry for the development of new materials and in the semiconductor industry for specific applications requiring precise chemical properties.

What precautions should be taken when handling (3beta)-3-Hydroxylup-20(29)-en-28-al (CAS: 13159-28-9)?

When handling (3beta)-3-Hydroxylup-20(29)-en-28-al, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up promptly using appropriate absorbent materials, and the chemical should be stored in a cool, dry place away from direct sunlight. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.