1,3-Diacetylvilasinin , CAS No.78012-28-9

CAS: 78012-28-9 Cat. No.: D1452839 PubChem CID: 52952013

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

1,3-Diacetylvilasinin (Diacetylvilasinin), a bioactive Triterpenoid from Melia volkensii , shows marginal cytotoxicities against certain human tumor cell lines.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

• Sonrisas canónicas: CC(=O)OC1CC(C2(C3CCC4(C(CC=C4C3(C(C5C2C1(CO5)C)O)C)C6=COC=C6)C)C)OC(=O)C
• IUPAC Name: [(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] acetate
• InChIKey: WGBLBVXSYGYVPN-VQDQNZKNSA-N
• INCHI: 1S/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11,13,15H2,1-6H3/t19-,21-,22+,23-,24+,25-,26+,27-,28+,29-,30-/m0/s1
• Isómeros SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]2([C@H]3CC[C@]4([C@@H](CC=C4[C@@]3([C@@H]([C@H]5[C@H]2[C@@]1(CO5)C)O)C)C6=COC=C6)C)C)OC(=O)C
• PubChem CID: 52952013

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Limonoids
• Alternative Parents: 17-furanylsteroids and derivatives Steroid esters Naphthofurans Dicarboxylic acids and derivatives Tetrahydrofurans Heteroaromatic compounds Furans Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Limonoid skeleton - 17-furanylsteroid skeleton - Steroid ester - Steroid - Naphthofuran - Dicarboxylic acid or derivatives - Cyclic alcohol - Furan - Heteroaromatic compound - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.
• External Descriptors: secondary alcohol - acetate ester - furans - pentacyclic triterpenoid - limonoid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y