(2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one

Basic Information

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CAS Number

5289-74-7

Molecular Formula

C27H44O7

Molecular Weight

480.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

244.0 to 248.0 deg-C

Boiling Point

702.1℃/760mmHg

Flash Point

392.4 °C

Solubility

alcohol: soluble

Refractive Index

1.5800 (estimate)

SMILES

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C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O

InChI

InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1

InChIKey

NKDFYOWSKOHCCO-YPVLXUMRSA-N

LogP

1.854000000000001

Topological Polar Surface Area

138.45000000000002 Å²

Hydrogen Bond Donor/Acceptor

6 / 7

Complexity

869

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Storage Conditions

-20℃

Synonyms & References

English

Hydroxyecdysone
20-HYDROXYECDYSON
20-HYDROXYECDYSONE
2B,3B,14A,20,22[R],25-HEXAHYDROXY-7-CHOLESTEN-6-ONE
2b,3b,14a,20b,22,25-hexahydroxycholest-7-en-6-one
2BETA,3BETA,14ALPHA,20BETA,22,25-HEXAHYDROXY-7-CHOLESTEN-6-ONE
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-TRIHYDROXY-10,13-DIMETHYL-17-((1R,2R)-1,2,5-TRIHYDROXY-1,5-DIMETHYL-HEXYL)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-6-ONE
7,(5B)-CHOLESTEN-2BETA, 3BETA, 14ALPHA, 20BETA, 22R, 25-HEXOL-6-ONE
B-ECDYSONE
BETA-ECDYSON
BETA-ECDYSONE
BETA-ECDYSONE,2,3,14,20,22,25-HEXAHYDROXY-7-CHOLESTEN-6-ONE
BETA-ECDYSTERONE
ECDYSONE, BETA-
ECDYSTERONE
HYDROXYECDYSONE, 20-
INSECT MOULTING HORMONE
POLYPODINE A
2,3,14,20,22,25-hexahydroxy-,(2-beta,3-beta,5-beta,22r)-cholest-7-en-6-on
2-beta,3-beta,14,20,22,25-hexahydroxy-5-beta-cholet-7-en-6-one
(+)-20-Hydroxyecdysone
β-Ecdysone
(2β,3β,5β,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
β-Ecdysterone
Crustecdysone
[ "Crustecdysone", " Ecdysterone" ]
Ecdysone Extract
Commisterone
20-OH ecdysone
THE-7
Isoinokosterone

MDL Number

MFCD00036740

Customs Code

2937290090

FAQ

What is (2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one (CAS: 5289-74-7)?

This compound is a steroid derivative with six hydroxyl groups and a ketone functional group. Its chemical formula is C27H48O5, and it exhibits characteristics typical of cholestane-based molecules, such as solubility in organic solvents and a complex molecular structure. It is primarily used as a synthetic intermediate in pharmaceutical and biochemical research due to its potential in drug development and structural analysis.

What are the main uses of (2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one (CAS: 5289-74-7)?

This compound serves as a key intermediate in pharmaceutical synthesis, particularly for developing steroidal drugs. It is also utilized in industrial organic chemistry for creating complex molecules and in research settings to study steroid chemistry. Its applications may extend to biochemical studies and the production of specialized chemical derivatives.

Is (2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one (CAS: 5289-74-7) safe?

Safety data for this compound is limited, but as a chemical intermediate, it should be handled with proper protective equipment. It may pose health risks if ingested or inhaled, so adherence to safety standards, such as those outlined in Material Safety Data Sheets (MSDS), is recommended. Always follow lab protocols and regulatory guidelines for safe use.

How should (2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one (CAS: 5289-74-7) be stored?

This compound should be stored in a cool, dry place (ideally 2-8°C), protected from light, and in a sealed, airtight container to maintain stability. Avoid exposure to moisture and air to prevent degradation. Proper storage conditions are crucial for preserving its chemical integrity and ensuring safe handling.