(3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol

Basic Information

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CAS Number

55721-11-4

Molecular Formula

C27H44O3

Molecular Weight

416.65 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

63-65°C

Boiling Point

474.91°C (rough estimate)

Density

1.0362 (rough estimate)

Flash Point

241.5 ºC

Refractive Index

1.4700 (estimate)

SMILES

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CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChI

InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24-,25-,27-/m1/s1

InChIKey

FCKJYANJHNLEEP-YSJYFECISA-N

LogP

5.704700000000007

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

688

Safety Information

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Hazard Statement

H330 Fatal if inhaled
Acute toxicity, inhalation

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Q27103914
Secalciferol [USAN:INN:BAN]
HMS1989G11
SECALCIFEROL
Secalciferolum
(24R)-24,25-Dihydroxyvitamin D3, >=98% (vitamin + pre-vitamin, HPLC)
Secalciferol (JAN/USAN/INN)
24, 25-DIHYDROXYCHOLECALCIFEROL
DTXSID4021260
HY-32343
CHEMBL1590076
UNII-460029IUDA
24(R),25-Dihydroxyvitamin D3
HMS3402G11
24R,25-Dihydroxyvitamin D3
SECALCIFEROL [USAN]
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,3-diol
24,25 Dihydroxyvitamin D3
(24R),25-Dihydroxyvitamin D3
SCHEMBL3597
Osteo D (TN)
55721-11-4
NCGC00161328-03
BML2-E04
(3S,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-3,24,25-triol
Osteo D
(24R)-Hydroxycalcidiol
LMST03020273
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
(5Z,7E)-(3S,24R)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol
C07712

MDL Number

MFCD00941417

FAQ

What are the physical and chemical properties of (3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (CAS: 55721-11-4)?

The compound (3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (CAS: 55721-11-4) is a crystalline solid with a molecular weight of approximately 458.67 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. This compound is relatively stable under normal conditions but can react with acidic or basic substances. It is not flammable and does not react readily with common reagents.

How is (3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (CAS: 55721-11-4) typically synthesized?

The compound (3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (CAS: 55721-11-4) can be synthesized through a series of reactions starting from cholesterol. Common synthetic routes include hydrogenation of the double bonds followed by desaturation and rearrangement reactions. The synthesis typically involves the use of palladium-based catalysts and requires controlled reaction conditions to achieve high selectivity and yield.

What industries use (3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (CAS: 55721-11-4)?

The compound (3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (CAS: 55721-11-4) is primarily used in the pharmaceutical industry for the development of cholesterol-related drugs. It also finds applications in the polymer industry for the synthesis of novel materials with specific properties. Additionally, it can be used in the production of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling (3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (CAS: 55721-11-4)?

When handling (3S,5Z,7E,14beta,24R)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (CAS: 55721-11-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Ensure the work is conducted in a well-ventilated area or a fume hood. Spills should be contained and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage.