(1S,3R)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol

Basic Information

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CAS Number

32222-06-3

Molecular Formula

C27H44O3

Molecular Weight

416.65 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

119°C

Boiling Point

565℃ at 760 mmHg

Solubility

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Refractive Index

1.4700 (estimate)

Vapor Pressure

1.2X10-12 mm Hg at 25 °C (est)

Specific Rotation

D25 +48° (methanol)

SMILES

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CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

InChI

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/t18-,22-,23-,24+,25+,27-/m1/s1

InChIKey

GMRQFYUYWCNGIN-ZVUFCXRFSA-N

LogP

5.704700000000008

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

688

Safety Information

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GHS Hazard Pictograms

H300

H310

H330

H361

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H310 Fatal in contact with skin
Acute toxicity, dermal

H330 Fatal if inhaled
Acute toxicity, inhalation

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1(a) Class 6.1(a)

Stability

Air and Light Sensitive

Synonyms & References

English

1,25(OH)2D3 & CD4
CALCITRIOL (MART.)
EINECS 250-963-8
CALCITRIOL [USAN]
CALCITRIOL [USP-RS]
SCHEMBL3245
CALCITRIOL [INN]
dihydroxy-vitamin D3
1alpha,25-Dihydroxyvitamin D3, >=99% (HPLC)
GTPL2779
AB00639957-06
1alpha 25-dihydroxycholecalciferol
HMS1361A09
Calcitrol 100 microg/mL in Acetonitrile
Toptriol
(1S,3R,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
Asentar
LMST03020258
(5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol
1-alpha,-1,25-Dihydroxyvitamin D3
Cas Number 32222-06-3
Ro 215535
1,25 DIHYDROXY VITAMIN D3
Ro-21-5535
CALCITRIOL [MI]
C3078
SR-01000759361
9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1a,3b,5Z,7E)-
9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta.,5Z,7E)-
1 alpha,25-Dihydroxyvitamin D3
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

MDL Number

MFCD00867079

Customs Code

2942000000

FAQ

What is (1S,3R)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol (CAS: 32222-06-3)?

This compound is a steroidal triol with a unique chemical structure derived from cholesterol. Its molecular formula is C27H44O3, featuring three hydroxyl groups and specific stereochemistry at the 1S,3R positions. It exhibits low solubility in water and is typically a white crystalline solid. The CAS number 32222-06-3 identifies its exact chemical identity for research and regulatory purposes.

What are the main uses of (1S,3R)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol (CAS: 32222-06-3)?

This compound is primarily used in pharmaceutical research as a synthetic intermediate for hormone-related drugs. It also serves in the development of steroidal compounds and may be applied in biochemical studies. Its applications are closely tied to its structural similarity to cholesterol, making it valuable in drug design and metabolic pathway investigations.

Is (1S,3R)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol (CAS: 32222-06-3) safe?

The safety of (1S,3R)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol depends on proper handling. It is not classified as highly toxic but should be treated with standard chemical safety precautions. Protective equipment, such as gloves and goggles, and adequate ventilation are recommended. Always follow OSHA guidelines and consult safety data sheets (SDS) for safe handling and disposal.

How should (1S,3R)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol (CAS: 32222-06-3) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. Keep it in airtight containers to prevent moisture exposure and maintain stability. Avoid prolonged exposure to air or light to preserve its chemical integrity. Proper storage conditions are essential to ensure safety and efficacy in research or industrial applications.