(4S,5S,6R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-15-one

Basic Information

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CAS Number

54706-99-9

Molecular Formula

C20H28O4

Molecular Weight

332.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Density

1.26±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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O=C1[C@]2([H])[C@@]3([H])[C@@](C3(C)C)([H])C[C@@H](C)[C@@](C=C(C)[C@@H]4O)1[C@]4(O)[C@H](O)C(C)=C2

InChI

InChI=1S/C20H28O4/c1-9-6-12-14-13(18(14,4)5)7-11(3)19(17(12)23)8-10(2)16(22)20(19,24)15(9)21/h6,8,11-16,21-22,24H,7H2,1-5H3/t11-,12?,13?,14?,15-,16+,19?,20+/m1/s1

InChIKey

FOSYZKSOJUQLTD-MUPTUGQJSA-N

LogP

1.8427999999999998

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

690

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

20-deoxyingenol
(1aR,10aα)-1a,2,5,5a,6,9,10,10a-Octahydro-5β,5aβ,6β-trihydroxy-1,1,4,7,9α-pentamethyl-1H-2α,8aα-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one
(4S,5S,6R,10R,12R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentade
(1S,4S,5S,6R,9R,10R,12R,14R)-4,5,6-trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]p
20-Deoxyingenol

MDL Number

MFCD30207875

FAQ

What is (4S,5S,6R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-15-one (CAS: 54706-99-9)?

(4S,5S,6R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-15-one is a complex organic compound with a unique molecular structure. This compound contains multiple hydroxyl groups, methyl substituents, and a specific cycloalkene ring system. It is characterized by its hydroxyl functionality, which contributes to its reactivity and potential biological activity.

What are the main uses of (4S,5S,6R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-15-one (CAS: 54706-99-9)?

This compound is primarily used in research applications, including chemical synthesis, drug discovery, and as intermediates in the production of pharmaceuticals. Its specific chemical properties make it useful in developing new medicinal agents and for studying biological processes.

Is (4S,5S,6R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-15-one (CAS: 54706-99-9) safe?

The safety of (4S,5S,6R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-15-one depends on the context of its use. It is essential to follow safety guidelines, including proper ventilation and protective measures such as gloves and goggles. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

How should (4S,5S,6R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-15-one (CAS: 54706-99-9) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to avoid degradation. The storage environment should be controlled to maintain optimal conditions, typically below 25°C and with a relative humidity below 50% to prevent moisture absorption and potential chemical changes.