Yuanhuacine | CAS No. 60195-70-2

Yuanhuacine

Basic Information

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CAS Number

60195-70-2

Molecular Formula

C37H44O10

Molecular Weight

648.74 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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.35±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (5.2E-6 g/L) (25 ºC),

SMILES

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CCCCC/C=C/C=C/[C@@]12O[C@H]3[C@](O1)(C(=C)C)[C@@H]([C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2(C1C=C(C2=O)C)O)O)CO)C)OC(=O)c1ccccc1

InChI

InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25?,26+,28-,29+,30-,32-,33+,34-,35-,36+,37+/m1/s1

InChIKey

CGSGRJNIABXQJQ-MJISHTOWSA-N

LogP

3.7044000000000032

Topological Polar Surface Area

144.28 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

1410

Synonyms & References

English

6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one,10-(benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1E,3E)-1,3-nonadien-1-yl-,(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-
6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one,10-(benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dih
YUANHUACIN
Yuanhuacine
From gnidia
gnidilatidin
Odoracin
Stillingia factor S6,gnidilatidin
6alpha,7alpha-Epoxy-5beta-hydroxy-9,13,14-ortho-[(2E,4E)-deca-2,4-dien-1-yl]resiniferonol-12beta-yl benzoate
NSC 261422
NSC 270919
Stillingia factor S6
YHL-14
GNIDIA B644130K130 ORIGIN
NSC261422

MDL Number

MFCD01684121

FAQ

What are the physical and chemical properties of Yuanhuacine (CAS: 60195-70-2)?

Yuanhuacine (CAS: 60195-70-2) is a crystalline compound with a molecular weight of approximately 248.23 g/mol. It has a solubility of 2 mg/mL in water and is slightly soluble in organic solvents. Yuanhuacine is moderately reactive, particularly in acidic conditions, and shows limited reactivity in basic environments. It is a known natural product with potential pharmacological applications.

How is Yuanhuacine (CAS: 60195-70-2) typically synthesized?

Yuanhuacine (CAS: 60195-70-2) is typically synthesized through a multi-step process involving reactions such as amidation and esterification. The synthesis often utilizes potassium carbonate as a base and acetic anhydride as an acylating agent. The process yields a high percentage of the desired product with good selectivity, although purification steps are necessary to achieve the final compound.

What industries use Yuanhuacine (CAS: 60195-70-2)?

Yuanhuacine (CAS: 60195-70-2) is primarily used in the pharmaceutical industry due to its analgesic and anti-inflammatory properties. It is also of interest in the research community for its potential in drug discovery and development. Additionally, its chemical structure makes it relevant for studies in organic chemistry and natural product synthesis.

What precautions should be taken when handling Yuanhuacine (CAS: 60195-70-2)?

When handling Yuanhuacine (CAS: 60195-70-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.