CAS 39111-07-4

(2Z)-6-[3a-(2-carboxyethyl)-6a,9a-dimethyl-3-(1-methylethenyl)dodecahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-7-yl]-2-methylhept-2-enoic acid

Description:

The chemical substance known as (2Z)-6-[3a-(2-carboxyethyl)-6a,9a-dimethyl-3-(1-methylethenyl)dodecahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-7-yl]-2-methylhept-2-enoic acid, with the CAS number 39111-07-4, is a complex organic compound characterized by its intricate molecular structure. It features multiple functional groups, including a carboxylic acid, which contributes to its acidity and reactivity. The presence of multiple methyl groups and a dodecahydro-cyclopenta structure indicates a degree of saturation and potential for stereoisomerism. This compound is likely to exhibit hydrophobic characteristics due to its large hydrocarbon framework, while the carboxylic acid group introduces some polar character. Its structural complexity suggests potential applications in organic synthesis or as a precursor in the development of pharmaceuticals or agrochemicals. Additionally, the specific stereochemistry indicated by the (2Z) configuration may influence its biological activity and interactions with other molecules. Overall, this compound represents a unique example of synthetic organic chemistry with potential utility in various fields.

Formula: C₃₀H₄₆O₄

InChI: InChI=1S/C30H46O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9,20,22-24H,1,7-8,10-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9-/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1

InChI key: InChIKey=NJFOSFIPGRXARF-BRTULJEKSA-N

SMILES: C(CC(O)=O)[C@]12[C@]3([C@]([C@@]4(C)[C@](C)(CC3)[C@@]([C@@H](CC/C=C(\C(O)=O)/C)C)(CC4)[H])(CC[C@H]1C(C)=C)[H])C2

Synonyms:

• (3S,3aR,4aS,6aR,7R,9aS,9bS)-7-[(1R,4Z)-5-Carboxy-1-methyl-4-hexen-1-yl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid
• Nigranoic acid
• 9,19-Cyclo-3,4-secolanosta-4(28),24-diene-3,26-dioic acid, (24Z)-
• 1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, 7-[(1R,4Z)-5-carboxy-1-methyl-4-hexen-1-yl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-, (3S,3aR,4aS,6aR,7R,9aS,9bS)-
• 1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, 7-[(1R,4Z)-5-carboxy-1-methyl-4-hexenyl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-, (3S,3aR,4aS,6aR,7R,9aS,9bS)-

Nigranoic acid

CAS: 39111-07-4

Nigranoic acid is a triterpenoid compound, which is derived from the seeds of Schisandra species, a type of plant known for its medicinal properties. It is particularly abundant in Schisandra chinensis, commonly used in traditional medicine systems. The mode of action of nigranoic acid involves modulation of inflammatory pathways and oxidative stress. It has shown the ability to inhibit the production of pro-inflammatory cytokines and reactive oxygen species, mediating its potential therapeutic effects.

Formula: C₃₀H₄₆O₄

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 470.68 g/mol

Ref: 3D-FN65669

Nigranoic acid

CAS: 39111-07-4

Nigranoic acid is a natural product,and inhibits HIV-1 reverse transcriptase.

Formula: C₃₀H₄₆O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 470.68

Ref: TM-T13796