(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate (1:1) | CAS No. 147657-22-5

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

Basic Information

CAS Number

147657-22-5

Molecular Formula

C27H42O4

Molecular Weight

430.63 g/mol

AD

Basic Physical Properties

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

InChI

InChI=1S/C27H40O3.H2O/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;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1

InChIKey

XBKHACNRWFKJNC-MANNPBRJSA-N

LogP

4.265900000000007

Topological Polar Surface Area

92.19 Ų

Hydrogen Bond Donor/Acceptor

5 / 4

Complexity

743

Synonyms & References

English

  • S7499TYY6G
  • CALCIPOTRIOL MONOHYDRATE [WHO-DD]
  • CHEBI:90861
  • 9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL, 24-CYCLOPROPYL-, (1.ALPHA.,3.BETA.,5Z,7E,22E,24S)-, MONOHYDRATE
  • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate
  • Calcipotriol monohydrate
  • Calcipotriene monohydrate
  • CALCIPOTRIENE HYDRATE [ORANGE BOOK]
  • CALCIPOTRIOL MONOHYDRATE [EP MONOGRAPH]
  • TACLONEX COMPONENT CALCIPOTRIENE HYDRATE
  • ENSTILAR COMPONENT CALCIPOTRIENE HYDRATE
  • CALCIPOTRIENE HYDRATE
  • CALCIPOTRIENE HYDRATE COMPONENT OF TACLONEX
  • calcipotriene
  • Calcipotriol (monohydrate)
  • CALCIPOTRIOL HYDRATE [JAN]
  • Dovonex (TN)
  • A902099
  • AKOS025312514
  • UNII-S7499TYY6G
  • CALCIPOTRIENE MONOHYDRATE [USP MONOGRAPH]
  • MC-903 HYDRATE
  • D10198
  • MS-27664
  • Calcipotriol hydrate (JAN)
  • HY-10001A
  • Calcipotriol hydrate
  • Q27162836
  • Calcipotriol hydrate, >=98% (HPLC)
  • (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate
  • (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol hydrate

MDL Number

MFCD10567086

FAQ

What is (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate (CAS: 147657-22-5)?

(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate is a complex organic compound with a unique molecular structure. It is characterized by its complex stereochemistry and is a hydrate. This compound is used in various applications, including pharmaceutical and research purposes.

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 hydrate (CAS: 147657-22-5)?

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 hydrate include pharmaceuticals, where it may be used in the development of certain drugs, and research, where it is utilized for various chemical studies and analyses.

Is (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate (CAS: 147657-22-5) safe?

When handled properly, (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate is generally considered safe. However, users should follow all safety guidelines, including wearing appropriate personal protective equipment and storing the compound in a cool, dry place away from direct sunlight and heat sources.

How should (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate (CAS: 147657-22-5) be stored?

(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate should be stored in a cool, dry place to maintain its stability. It should be kept away from direct sunlight and heat sources to prevent degradation. The compound should be stored in a well-ventilated area and in a tightly sealed container to protect it from moisture and air exposure.

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