Viomellein - ≥96% , CAS No.55625-78-0

CAS: 55625-78-0 Cat. No.: V274777 Formule: C₃₀H₂₄O₁₁ Poids moléculaire: 560.51 PubChem CID: 3033108

GRADE & PURITY ≥96%

Synonyms

(3R,3'R)-3,3',4,4'-TETRAHYDRO-9',10,10'-TRIHYDROXY-7,7'-DIMETHOXY-3,3'-DIMETHYL(8,8'-BI-1H-NAPHTHO(2,3-C)PYRAN)-1,1',6,9-TETRONE | 9R5RC7QX9B | (3R)-8-[(3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-10-hydroxy-7-methoxy-3

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonymes

(3R,3'R)-3,3',4,4'-TETRAHYDRO-9',10,10'-TRIHYDROXY-7,7'-DIMETHOXY-3,3'-DIMETHYL(8,8'-BI-1H-NAPHTHO(2,3-C)PYRAN)-1,1',6,9-TETRONE | 9R5RC7QX9B | (3R)-8-[(3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-10-hydroxy-7-methoxy-3

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at -20°C,Desiccated

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

≥96%

Noms et identifiants

Sourires canoniques

CC1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C5=C(C6=C(CC(OC6=O)C)C=C5C=C4OC)O)O

IUPAC Name

(3R)-8-[(3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-10-hydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromene-1,6,9-trione

InChIKey

CKVKZAJXACTIEL-GHMZBOCLSA-N

INCHI

1S/C30H24O11/c1-10-5-12-7-14-9-16(38-3)21(25(33)17(14)24(32)18(12)29(36)40-10)22-27(35)20-15(23(31)28(22)39-4)8-13-6-11(2)41-30(37)19(13)26(20)34/h7-11,32-34H,5-6H2,1-4H3/t10-,11-/m1/s1

Isomères SMILES

C[C@@H]1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C5=C(C6=C(C[C@H](OC6=O)C)C=C5C=C4OC)O)O

PubChem CID

3033108

Poids moléculaire

560.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Isochromanequinones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Isochromanequinones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isochromanequinones
• Alternative Parents: Naphthopyranones Naphthoquinones Naphthols and derivatives 2-benzopyrans Anisoles Aryl ketones Quinones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Vinylogous acids Vinylogous esters Lactones Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - 1-naphthol - Benzopyran - Isochromane - Naphthalene - 2-benzopyran - Anisole - Phenol ether - Quinone - Aryl ketone - Pyranone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Pyran - Vinylogous acid - Vinylogous ester - Carboxylic acid ester - Ketone - Lactone - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isochromanequinones. These are polycyclic compounds containing an isochromanequinone, which is structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.
• External Descriptors: Not available

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

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO
• Poids moléculaire: 560.500 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 560.132 Da
• Monoisotopic Mass: 560.132 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 1160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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