(1S,2R)-4-[(1E,3R)-3-Hydroxy-1-buten-1-yl]-3,5,5-trimethyl-3-cyclohexene-1,2-diol | CAS No. 393862-19-6

(1S,2R)-4-[(1E,3R)-3-Hydroxy-1-buten-1-yl]-3,5,5-trimethyl-3-cyclohexene-1,2-diol

Basic Information

CAS Number

393862-19-6

Molecular Formula

C13H22O3

Molecular Weight

226.32 g/mol

AD

Basic Physical Properties

Physical State

Oil

CC1[C@@H](O)[C@@H](O)CC(C)(C)C=1/C=C/[C@@H](C)O

InChI

InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,8,11-12,14-16H,7H2,1-4H3/b6-5+/t8-,11+,12-/m1/s1

InChIKey

HODWUFMHAGVDJY-QANURTJOSA-N

LogP

1.3916

Topological Polar Surface Area

60.69 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Synonyms & References

English

  • 3-Cyclohexene-1,2-diol,4-[(1E,3R)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (1S,2R)-
  • Plucheoside B aglycone

FAQ

What is (1S,2R)-4-[(1E,3R)-3-Hydroxy-1-buten-1-yl]-3,5,5-trimethyl-3-cyclohexene-1,2-diol (CAS: 393862-19-6)?

This compound is a stereoisomer with a unique cyclic structure comprising a 3-cyclohexene-1,2-diol moiety along with a 3-hydroxy-1-buten-1-yl side chain. It is characterized by its trimethyl group and specific stereochemistry. This compound is used in pharmaceuticals and research due to its unique chemical properties.

What are the main uses of (1S,2R)-4-[(1E,3R)-3-Hydroxy-1-buten-1-yl]-3,5,5-trimethyl-3-cyclohexene-1,2-diol (CAS: 393862-19-6)?

The compound is primarily used in pharmaceutical research and development, particularly in the synthesis of complex molecules and drug candidates. It also serves as a chemical intermediate in the production of certain organic compounds.

Is (1S,2R)-4-[(1E,3R)-3-Hydroxy-1-buten-1-yl]-3,5,5-trimethyl-3-cyclohexene-1,2-diol (CAS: 393862-19-6) safe?

The compound is generally considered safe when handled with appropriate precautions. However, it is important to follow safety guidelines, such as wearing protective gloves and goggles, and ensuring proper ventilation. Storage and handling should be conducted in a well-ventilated area away from sources of heat and ignition.

How should (1S,2R)-4-[(1E,3R)-3-Hydroxy-1-buten-1-yl]-3,5,5-trimethyl-3-cyclohexene-1,2-diol (CAS: 393862-19-6) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent exposure to air and moisture. Proper storage conditions are essential to maintain its stability and safety.

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