(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol | CAS No. 112965-21-6

(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol

Basic Information

CAS Number

112965-21-6

Molecular Formula

C27H40O3

Molecular Weight

412.61 g/mol

AD

Basic Physical Properties

Melting Point

166-168 ºC

Boiling Point

582℃/760mmHg

Solubility

DMSO: soluble15mg/mL, clear

CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C

InChI

InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1

InChIKey

LWQQLNNNIPYSNX-UROSTWAQSA-N

LogP

5.090600000000005

Topological Polar Surface Area

60.69 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

743

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • EX-A4430
  • STF-115469
  • Epitope ID:114242
  • 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E,24S)-
  • HMS3413D04
  • HMS3713K08
  • 1s19
  • D01125
  • 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E)-
  • CALCIPOTRIENE [USP-RS]
  • (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol hydrate
  • CALCIPOTRIOL (MART.)
  • Divonex
  • HMS2089J08
  • 9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL, 24-CYCLOPROPYL-, (1.ALPHA.,3.BETA.,5Z,7E,22E,24S)-
  • CALCIPOTRIOL [JAN]
  • (5Z,7E,22E)-(1S,3R,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
  • NCGC00167465-01
  • Calcipotriene [USAN]
  • CALCIPOTRIENE [ORANGE BOOK]
  • (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol
  • AB00698343-05
  • DB02300
  • Calcipotriene (USP)
  • CHEBI:50749
  • calcipotriolum
  • Calcipotriol
  • Calciptriol
  • 143NQ3779B
  • DTXCID8026648
  • HMS2051N11

MDL Number

MFCD00866630

FAQ

What is (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol (CAS: 112965-21-6)?

(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol is a complex steroid derivative, primarily of interest in organic chemistry and pharmaceutical research. It contains cyclo and seco structures, indicating modifications to the typical steroid backbone. This compound is characterized by its unique substituents and stereochemistry.

What are the main uses of (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol (CAS: 112965-21-6)?

This compound is used in pharmaceutical and chemical research for studying steroid derivatives, and potential applications in medicinal chemistry. It may also be used as a starting material for the synthesis of other compounds with specific biological activities.

Is (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol (CAS: 112965-21-6) safe?

The safety of this compound depends on the context of its use. As with any chemical, it should be handled with care. Ensure proper ventilation and use appropriate personal protective equipment (PPE) such as gloves and goggles. Follow all safety guidelines and consult the material safety data sheet (MSDS) for specific handling instructions.

How should (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol (CAS: 112965-21-6) be stored?

Store this compound in a cool, dry place at room temperature. Avoid exposure to moisture and light. Use a tightly sealed container to prevent degradation. Handle with care to avoid spills or inhaling the substance. Ensure good ventilation in the storage area.

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