(1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol

Basic Information

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CAS Number

57333-96-7

Molecular Formula

C27H44O3

Molecular Weight

416.65 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Boiling Point

565 °C at 760 mmHg

Density

1.06

Flash Point

238.4 °C

Refractive Index

1.545

SMILES

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

InChI

InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1

InChIKey

BJYLYJCXYAMOFT-RSFVBTMBSA-N

LogP

5.560600000000008

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

676

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Bonalfa (TN)
Tacalcitolum
BDBM50441892
PRI-2191
CHEBI:32176
(1-alpha,3-beta,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol
(24R)-1alpha,24-dihydroxyvitamin D3 / (24R)-1alpha,24-dihydroxycholecalciferol
GTPL2780
1,24-Dihydroxyvitamin D3
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Tacalcitolum [INN-Latin]
D08554
Q155682
SCHEMBL3945
AS-77643
1S,3R,5Z,7E,24R)-9,10-SECOCHOLESTA-5,7,10-TRIENE-1,3,24-TRIOL
1-alpha,24(R)-Dihydroxyvitamin D3
BJYLYJCXYAMOFT-RSFVBTMBSA-N
EX-A4429
Vellutan
1alpha,24(OH)2D3
(1S,3R,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-1,3,24-triol
Tacalcitol, >=99% (HPLC)
(+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol
NS00069889
TV-02
CS-0391
TACALCITOL [MI]
DTXSID90905111
1,24(R)-Dihydroxyvitamin D3
AKOS024458008

MDL Number

MFCD13184757

FAQ

What is (1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol (CAS: 57333-96-7)?

(1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol is a steroid compound with a unique set of structural features. It has a complex molecular structure and is often used in research and pharmaceutical applications. This compound is characterized by its specific stereochemistry and unsaturated hydrocarbon groups.

What are the main uses of (1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol (CAS: 57333-96-7)?

(1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol is primarily used in pharmaceuticals for the synthesis of various steroid drugs, including corticosteroids and sex hormones. It is also utilized in research for its unique chemical properties and in some industrial applications involving chemical synthesis.

Is (1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol (CAS: 57333-96-7) safe?

(1S,3,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol is generally considered safe when handled properly. However, it should be used with caution, as it can cause skin irritation. Protective measures such as gloves and goggles are recommended to minimize exposure. Always follow safety guidelines and consult the Material Safety Data Sheet (MSDS) for detailed information.

How should (1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol (CAS: 57333-96-7) be stored?

(1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10-triene-1,3,24-triol should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions include temperatures below 25°C and a relative humidity not exceeding 60%. Ensure the container is well-labeled and stored in a secure location to prevent accidental exposure or misuse.