(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol

Basic Information

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CAS Number

19356-17-3

Molecular Formula

C27H44O2

Molecular Weight

400.65 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

74-76oC

Boiling Point

529.2℃ at 760 mmHg

Density

1.01

SMILES

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

InChI

InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1

InChIKey

JWUBBDSIWDLEOM-DTOXIADCSA-N

LogP

6.733900000000009

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

655

Safety Information

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GHS Hazard Pictograms

H225

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AB01275461_02
U 32070E
(1S,3Z)-3-[(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-cyclohexanol
CHEBI:17933
DM100
Calcifediol
T0WXW8F54E
Spectrum5_001931
Calcifediol [INN]
Ro 8-8892
(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
DTXSID0022721
DB00146
EN300-7413489
s1469
U 32070 E
Calcifediolum [INN-Latin]
3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
CALCIFEDIOL,ANHYDROUS
Calcidiol
BRD-K77175907-001-01-5
CS-0800
JWUBBDSIWDLEOM-DTOXIADCSA-N
Rovimix Hy-D
CHEBI:94743
19356-17-3
(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
AB01275461-01
BML2-E02
HY-32351
(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol

MDL Number

MFCD00867077

FAQ

What is (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol (CAS: 19356-17-3)?

This compound is a complex stereoisomer with the chemical formula C24H42O2. It is characterized by its cyclohexane ring substituted with multiple functional groups, including hydroxyl and methylidene groups. The molecule exhibits specific stereochemistry with the (1S,3Z) and (1R,3aS,4E,7aR) configurations, making it a valuable compound in organic synthesis and pharmaceutical research.

What are the main uses of (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol (CAS: 19356-17-3)?

This compound is primarily used in pharmaceutical research for the development of drugs targeting specific biological pathways. It also finds application in organic synthesis as a building block for more complex molecules. Its unique structure makes it relevant in the study of bioactive compounds and potential therapeutic agents.

Is (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol (CAS: 19356-17-3) safe?

Safety data for this compound is limited, but it is generally considered safe when handled properly in controlled environments. Precautions include wearing personal protective equipment (PPE) and avoiding prolonged exposure. It is advisable to follow standard laboratory safety protocols and consult safety data sheets (SDS) for detailed handling instructions.

How should (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol (CAS: 19356-17-3) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is recommended to keep it in a sealed container to prevent moisture absorption. Avoid exposure to air and light to maintain its stability and potency over time.