(1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol

Basic Information

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CAS Number

65445-14-9

Molecular Formula

C27H44O2

Molecular Weight

400.65 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CC(C)CCCC(C)C1CCC2[C@@]1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

InChI

InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12+/t19-,23-,24-,25+,26+,27-/m1/s1

InChIKey

OFHCOWSQAMBJIW-AOSUDXALSA-N

LogP

6.58980000000001

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

643

Synonyms & References

English

(1S,3R,5Z)-5-[(2E)-2-[(1R,3aR,7aS)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
(1R,3S,5Z,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol
(1S,3R,5Z)-5-[(2E)-2-[(1R,3aR,7aS)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyliden
(5E)-1alpha-hydroxyvitamin D3 / (5E)-1alpha-hydroxycholecalciferol
1alpha-Hydroxy-5,6-trans-vitamin D3
1
A-Hydroxyvitamin D3
A-Hydroxycholecalciferol
LMST03020233
(5E)-1alpha-Hydroxyvitamin D3/(5E)-1alpha-hydroxycholecalciferol
(1R,3S)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol

MDL Number

MFCD01684341

FAQ

What regulatory guidelines apply to (1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol (CAS: 65445-14-9)?

Regulatory guidelines for (1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol (CAS: 65445-14-9) include GHS classification, REACH regulations, and FDA/EPA requirements. This compound should be handled in accordance with occupational safety and health standards, and specific precautions must be taken to ensure compliance with local and international regulations.

Are there alternatives to (1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol in synthesis?

Alternatives to (1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol in synthesis include other secosteroids and related compounds. Common alternatives include analogs such as (1S,3R,5E)-9,10-secocholesta-5,7-diene-3,10-diol and (1S,3R,5E,7E)-9,10-secocholesta-5,7,10-triene-1,3-diol. These alternatives offer similar functional groups and can be used depending on the specific requirements of the synthesis.

What is the market or research trend for (1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol (CAS: 65445-14-9)?

The market for (1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol (CAS: 65445-14-9) is growing due to its applications in pharmaceuticals and natural products. Research trends indicate increasing interest in its biosynthetic pathways and potential as a bioactive compound. Market demand is expected to rise with further development of its biological and chemical properties.

How should waste containing (1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol (CAS: 65445-14-9) be handled?

Waste containing (1S,3R,5E,7E)-9,10-Secocholesta-5,7,10-triene-1,3-diol (CAS: 65445-14-9) should be handled with care to minimize environmental impact. Waste liquid collection should be conducted in accordance with local regulations. Incineration or professional waste disposal methods are recommended. Proper environmental protection precautions, including the use of appropriate personal protective equipment, should be taken to ensure safety during handling and disposal.