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

Basic Information

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CAS Number

3604-87-3

Molecular Formula

C27H44O6

Molecular Weight

464.64 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

Cryst.

Melting Point

238-239°C

Boiling Point

488.1°C (rough estimate)

Refractive Index

1.4482 (estimate)

Specific Rotation

62°

SMILES

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O[C@H](C[C@@]12[H])[C@H](C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)C(CCC(C)(C)O)O)CC[C@](O)4C3=CC1=O)O

InChI

InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1

InChIKey

UPEZCKBFRMILAV-JMZLNJERSA-N

LogP

2.739100000000002

Topological Polar Surface Area

118.22000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 6

Complexity

821

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2BETA,3BETA,14ALPHA,22[R],25-PENTAHYDROXY-7-CHOLESTEN-6-ONE
7,(5-ALPHA)-CHOLESTEN-2-BETA, 3-BETA, 14-ALPHA, 22R, 25-PENTOL-6-ONE
ALPHA-ECDYSON
ALPHA-ECDYSONE
ALPHA-ECDYSTERONE
ECDYSONE
ECDYSONE, ALPHA-
2,3,14,22,25-pentahydroxy-,(2-beta,3-beta,5-beta,22r)-cholest-7-en-6-on
2-beta,3-beta,14,22,25-pentahydroxy-,(20s,22r)-5-beta-cholest-7-en-6-on
(2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one
2β,3β,14α,22(r),25-pentahydroxy-7-cholesten-6-one
ALPHA-ECYSONE
β-Ecdysone[20-Hydroxyecdysone]
A-ECDYSONE
(2b,3b,5b,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one
ECDYSONE, ALPHA-(RG)
α-Ecdysone
(2β,3β,5β,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one
[3H]-Ecdysone
Gynostemma Gypenosides
Ecdysone

MDL Number

MFCD00042683

Customs Code

2937290090

FAQ

What is (2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one (CAS: 3604-87-3)?

(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one is a chemical compound with a unique structure, characterized by its five hydroxyl groups and a specific enol form. It is a derivative of cholesterol and is often used in chemical synthesis and research.

What are the main uses of (2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one (CAS: 3604-87-3)?

(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one is primarily used in pharmaceuticals and research for its unique chemical properties. It serves as a valuable intermediate in the synthesis of other compounds and in biological studies.

Is (2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one (CAS: 3604-87-3) safe?

(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one is generally safe when handled properly. However, it is important to follow all safety precautions, such as wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation during use.

How should (2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one (CAS: 3604-87-3) be stored?

(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to use a tightly sealed container to prevent degradation and maintain purity.