(4S,5R,6R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.0~1,5~.0~6,11~.0~14,16~]nonadeca-2,11-dien-19-one

Basic Information

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CAS Number

77573-43-4

Molecular Formula

C23H32O5

Molecular Weight

388.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Density

1.26±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CC1CC2C(C2(C)C)C3C=C4COC(OC4C5(C1(C3=O)C=C(C5O)C)O)(C)C

InChI

InChI=1S/C23H32O5/c1-11-9-22-12(2)7-15-16(20(15,3)4)14(18(22)25)8-13-10-27-21(5,6)28-19(13)23(22,26)17(11)24/h8-9,12,14-17,19,24,26H,7,10H2,1-6H3/t12-,14?,15?,16?,17+,19-,22?,23-/m1/s1

InChIKey

ONMDPPVVEFWDOD-FMBNQKDMSA-N

LogP

2.6135

Topological Polar Surface Area

75.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

823

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

77573-43-4
HY-N0869
Ingenol 5,20-Acetonide
Ingenol-5,20-acetonide
(6R)-6,6abeta,7abeta,8,9,12,12a,12bbeta-Octahydro-12alpha,12aalpha-dihydroxy-2,2,7,7,9beta,11-hexamethyl-7H-6beta,9abeta-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one
CS-3916
MS-26453
(6R)-6,6aβ,7aβ,8,9,12,12a,12bβ-Octahydro-12α,12aα-dihydroxy-2,2,7,7,9β,11-hexamethyl-7H-6β,9aβ-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one
(4S,5R,6R,14R,16R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11
A865196
(4S,5R,6R,14R,16R,18R)-4,5-dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11

MDL Number

MFCD28411511

FAQ

What is (4S,5R,6R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.0~1,5~.0~6,11~.0~14,16~]nonadeca-2,11-dien-19-one (CAS: 77573-43-4)?

This compound is a complex organic molecule with a unique cyclic structure. It contains multiple chiral centers and is characterized by its hydroxyl groups, methyl substituents, and a specific dioxapentacyclo system. It is used in various applications, including pharmaceuticals and research.

What are the main uses of (4S,5R,6R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.0~1,5~.0~6,11~.0~14,16~]nonadeca-2,11-dien-19-one (CAS: 77573-43-4)?

This compound is primarily used in pharmaceuticals for its potential biological activities. It is also employed in research settings for its chemical properties and structural uniqueness.

Is (4S,5R,6R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.0~1,5~.0~6,11~.0~14,16~]nonadeca-2,11-dien-19-one (CAS: 77573-43-4) safe?

Safety depends on the context of use. This compound should be handled with appropriate protective measures, including gloves and safety goggles. It is important to follow all safety guidelines and storage recommendations to ensure safe handling.

How should (4S,5R,6R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.0~1,5~.0~6,11~.0~14,16~]nonadeca-2,11-dien-19-one (CAS: 77573-43-4) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to use a properly sealed container to prevent degradation. Maintain appropriate temperature and humidity control to ensure its stability.