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(4aR,4bS,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one | CAS No. 638-94-8

(4aR,4bS,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one

Basic Information

Chemical_Structure_Of
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CAS Number

638-94-8

Molecular Formula

C24H32O6

Molecular Weight

416.51 g/mol

AD

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
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

275°C

Boiling Point

580.1°C at 760 mmHg

Specific Rotation

+119.0°- +124.0° (c=0.5, MeOH)

SMILES

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CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)C

InChI

InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1

InChIKey

WBGKWQHBNHJJPZ-LECWWXJVSA-N

LogP

2.326700000000001

Topological Polar Surface Area

93.06000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

873

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Toxicity

LD50 in rats (mg/kg): 93 s.c. (Phillips)

Synonyms & References

English

  • 16alpha,17alpha-isopropylidenedioxyprednisolone
  • TRIDESILON COMPONENT DESONIDE
  • DESONIDE (MART.)
  • D-2083
  • 11beta,21-dihydroxy-16alpha,17-isopropylidenedioxypregna-1,4-diene-3,20-dione
  • Desonate
  • Hamiltoderm
  • Desilux
  • NCGC00274065-01
  • DESONIDE
  • 16alpha-Hydroxyprednisolone Acetonide
  • EINECS 211-351-6
  • DESONIDE (USP IMPURITY)
  • DESONIDE COMPONENT OF TRIDESILON
  • Tox21_112603_1
  • Q-101382
  • NS00010533
  • Desonidum (INN-Latin)
  • Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione
  • AB01274712-01
  • Desonida (INN-Spanish)
  • NSC-759226
  • 11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone
  • BCP04201
  • (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
  • DESONIDE [VANDF]
  • s1701
  • BUDESONIDE IMPURITY F (EP IMPURITY)
  • J280872D1O
  • Desonide Ointment, 0.05%
  • Desonidum

MDL Number

MFCD00866151

Customs Code

2937210000

FAQ

What is (4aR,4bS,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one (CAS: 638-94-8)?
This compound is a complex organic molecule with a dioxolone ring system and multiple methyl and hydroxyl substituents. Its full IUPAC name indicates a polycyclic structure with specific stereochemistry (4aR,4bS,6aS,6bS,9aR,10aS,10bS) and functional groups, including a glycoloyl group. It is identified by the CAS number 638-94-8 and is commonly used in pharmaceutical and chemical research applications.

What are the main uses of (4aR,4bS,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one (CAS: 638-94-8)?
This compound is primarily utilized in pharmaceutical research as an intermediate for drug development, particularly in the synthesis of anti-inflammatory and analgesic agents. It also finds applications in organic chemistry due to its unique structure, which allows for functional group modifications. Its uses may extend to specialized chemical research and industrial processes involving complex heterocyclic compounds.

Is (4aR,4bS,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one (CAS: 638-94-8) safe?
Safety data for this compound is limited, but general handling precautions apply. It should be used in a well-ventilated area with appropriate personal protective equipment (PPE) to minimize exposure. While not classified as highly toxic, its potential reactivity necessitates careful handling. Always follow safety guidelines for chemical substances with complex structures and consult specific safety sheets for detailed information.

How should (4aR,4bS,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one (CAS: 638-94-8) be stored?
This compound should be stored in a sealed container at room temperature (15-25°C), away from moisture, light, and air. It is recommended to maintain low humidity and avoid exposure to light to preserve stability. Keep in a cool, dry place, and ensure proper labeling to prevent contamination or accidental use.

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Supplier Information

(4aR,4bS,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

CAS Number: 638-94-8

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(4aR,4bS,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one — Leyan Reagents

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