Nodosin - ≥99% , CAS No.10391-09-0

CAS: 10391-09-0 Cat. No.: N649311 Formule: C₂₀H₂₆O₆ Poids moléculaire: 362.42 PubChem CID: 10248089

GRADE & PURITY ≥99%

Synonyms

AKOS032962396 | HY-N3181 | 11-Deacetylsinuolatin E; NSC 285659; Nodosin (terpene) | NODOSIN | CHEBI:70379 | F92771 | Q27138718 | (1S,4S,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Nodosin is a diterpenoid isolated from Isodon trichocarpus Kudo and I. Japonicus HARA.

Form:Solid

Specifications

Synonymes

AKOS032962396 | HY-N3181 | 11-Deacetylsinuolatin E; NSC 285659; Nodosin (terpene) | NODOSIN | CHEBI:70379 | F92771 | Q27138718 | (1S,4S,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Nodosin is a diterpenoid isolated from Isodon trichocarpus Kudo and I. Japonicus HARA.

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 528775700
• Sourires canoniques: CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C
• IUPAC Name: (1S,4S,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
• InChIKey: WZYJEEIAFBHYJS-SONIPUFESA-N
• INCHI: 1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14-,16-,19+,20+/m1/s1
• Isomères SMILES: CC1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4[C@@H](C[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C
• CAS alternatif: 10391-09-0
• PubChem CID: 10248089
• Termes d'entrée MeSH: nodosin
• Poids moléculaire: 362.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene lactones
• Alternative Parents: Kaurane diterpenoids Delta valerolactones Oxanes Tetrahydrofurans Secondary alcohols Ketones Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Diterpene lactone - Diterpenoid - Kaurane diterpenoid - Delta valerolactone - Delta_valerolactone - Oxane - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
• External Descriptors: delta-lactone

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 125 mg/mL (344.90 mM; ultrasound assisted dissolution,<60 ℃)
• Sensibilité: light sensitive
• Point d'éclair (°F): 431.78℉
• Point d'éclair (°C): 222.1℃
• Point d'ébullition (°C): 615.3℃ at 760mmHg
• Poids moléculaire: 362.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 362.173 Da
• Monoisotopic Mass: 362.173 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 728.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1