CAS 56421-13-7

(3S,3aR,5aR,6S,7S,9aR,9bR)-Dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1H-benz[e]indene-6-propanoic acid

Description:

The chemical substance with the name "(3S,3aR,5aR,6S,7S,9aR,9bR)-Dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1H-benz[e]indene-6-propanoic acid" and CAS number "56421-13-7" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a fused bicyclic structure, which contributes to its unique three-dimensional conformation. The presence of multiple chiral centers indicates that it may exhibit stereoisomerism, potentially leading to different biological activities or properties. The compound contains a propanoic acid moiety, suggesting it may have acidic characteristics, while the presence of a furan ring and various alkyl substituents indicates potential reactivity and solubility in organic solvents. Such compounds are often of interest in fields like medicinal chemistry and natural product synthesis due to their potential therapeutic applications. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₃₀H₅₀O₄

InChI: InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24-,27-,28+,29+,30-/m0/s1

InChI key: InChIKey=ZKBGKWZSOPPDSD-ZFQFSHTNSA-N

SMILES: C[C@]12[C@@]3(C)[C@@]([C@](CCC(O)=O)(C)[C@H](C(C)=C)CC3)(CC[C@@]1([C@](CC2)([C@@]4(C)O[C@H]([C@@](C)(C)O)CC4)[H])[H])[H]

Synonyms:

• (3S,3aR,5aR,6S,7S,9aR,9bR)-Dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1H-benz[e]indene-6-propanoic acid
• 1H-Benz[e]indene-6-propanoic acid, dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5S)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-, (3S,3aR,5aR,6S,7S,9aR,9bR)-
• 1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-,[3S-[3a(2R*,5R*),3aa,5ab,6b,7a,9aa,9bb]]-
• 3,4-Secodammar-4(28)-en-3-oic acid, 20,24-epoxy-25-hydroxy-, (24S)-
• 3,4-Secodammar-4(28)-en-3-oicacid, 20,24-epoxy-25-hydroxy-, (24S)-
• Eichlerianic acid

(20S,24S)-20,24-Epoxy-25-hydroxy-3,4-seco-5α-dammar-4(28)-en-3-oic acid

CAS: 56421-13-7

Formula: C₃₀H₅₀O₄

Purity: 98.5%

Molecular weight: 474.7156

Ref: IN-DA00EGUG

Eichlerianic acid

CAS: 56421-13-7

Eichlerianic acid is a trypanocidal compound with an IC50 value of 10 mg/mL.

Formula: C₃₀H₅₀O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 474.726

Ref: TM-TN3925

Eichlerianic acid

CAS: 56421-13-7

Formula: C₃₀H₅₀O₄

Purity: 95%~99%

Color and Shape: Powder

Molecular weight: 474.726

Ref: BP-SBP00334

Eichlerianic acid

CAS: 56421-13-7

Eichlerianic acid is a type of triterpenoid compound, which is a naturally occurring organic substance. It is primarily derived from the plant family Celastraceae, known for its diverse range of bioactive compounds. Eichlerianic acid exerts its effects through modulation of inflammatory pathways, particularly by inhibiting the production of pro-inflammatory cytokines and mediators. This mode of action makes it a compound of interest in the study of anti-inflammatory and immunomodulatory mechanisms.

Formula: C₃₀H₅₀O₄

Purity: Min. 95%

Molecular weight: 474.7 g/mol

Ref: 3D-GCA42113