Lysolipin I - ≥98% , CAS No.59113-57-4

CAS: 59113-57-4 Cat. No.: L274829 Molecular Weight: 597.95

GRADE & PURITY ≥98%

Synonyms

(7R,8R,12S,13R)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),10,17,20(25),21,23,27-nonaene-5,26-dione | Lysolipin I | 9H-Xantheno(4',3',2':4,5)(1,3)be

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. It is important to note that this product is reported to be light sensitive. Store In the Dark. Store under desiccating conditions.

Specifications

Synonyms

(7R, 8R, 12S, 13R)-22-chloro-3, 8, 28-trihydroxy-7, 12, 21-trimethoxy-6-methyl-14, 16, 19-trioxa-6-azaheptacyclo[15.11.1.02, 11.04, 9.013, 29.018, 27.020, 25]nonacosa-1(29), 2, 4(9), 10, 17, 20(25), 21, 23, 27-nonaene-5, 26-dione | Lysolipin I | 9H-Xantheno(4', 3', 2':4, 5)(1, 3)be

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Broad spectrum antibiotic agent. Shows antibacterial effects against both Gram-negative and Gram-positive bacteria. Induces bacterial cell wall lysis. Interferes with biosynthesis of the bacterial cell wall.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C(C(C2=C(C1=O)C(=C3C(=C2)C(C4C5=C3C(=C6C(=C5OCO4)OC7=C(C6=O)C=CC(=C7OC)Cl)O)OC)O)O)OC
• IUPAC Name: (7R,8R,12S,13R)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),10,17,20(25),21,23,27-nonaene-5,26-dione
• InChIKey: NEOMIZJYHXSRLV-MVHMQXOSSA-N
• INCHI: 1S/C29H24ClNO11/c1-31-28(36)14-10(19(33)29(31)39-4)7-11-13(20(14)34)15-16-25(22(11)37-2)40-8-41-26(16)27-17(21(15)35)18(32)9-5-6-12(30)24(38-3)23(9)42-27/h5-7,19,22,25,29,33-35H,8H2,1-4H3/t19-,22+,25-,29-/m1/s1
• Isomeric SMILES: CN1[C@@H]([C@@H](C2=C(C1=O)C(=C3C(=C2)[C@@H]([C@H]4C5=C3C(=C6C(=C5OCO4)OC7=C(C6=O)C=CC(=C7OC)Cl)O)OC)O)O)OC
• Molecular Weight: 597.95
• Reaxy-Rn: 53183142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=53183142&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes
            • Level7 Xanthones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans - Xanthenes
• Direct Parent: Xanthones
• Alternative Parents: Naphthopyranones Phenanthrenes and derivatives Chromones Isoquinolones and derivatives Naphthols and derivatives Tetrahydroisoquinolines Anisoles 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Vinylogous acids Heteroaromatic compounds Secondary alcohols Lactams Polyols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Acetals Organopnictogen compounds Organic oxides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthone - Naphthopyranone - Phenanthrene - Naphthopyran - 1-naphthol - Isoquinolone - Chromone - Naphthalene - Tetrahydroisoquinoline - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Lactam - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Polyol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
• 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Sensitivity: light sensitive
• Molecular Weight: 598.000 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 597.104 Da
• Monoisotopic Mass: 597.104 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1080.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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