Viridiol - ≥95% , CAS No.23820-80-6

CAS: 23820-80-6 Cat. No.: V275261 Molecular Weight: 354.35 PubChem CID: 5459246

GRADE & PURITY ≥95%

Synonyms

NSC 658706 | J-015227 | NSC658706 | NSC-658706 | (1R,16R,17S,18S)-16,18-dihydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione | 3-betaAlcohol-Viridin | SCHEMBL2258148 | Q27252349 | HY-1

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

Synonyms

NSC 658706 | J-015227 | NSC658706 | NSC-658706 | (1R, 16R, 17S, 18S)-16, 18-dihydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02, 10.05, 9.015, 19]nonadeca-2(10), 3, 5(9), 12(19), 14-pentaene-6, 11-dione | 3-betaAlcohol-Viridin | SCHEMBL2258148 | Q27252349 | HY-1

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Steroid antibiotic agent. PI 3-kinase inhibitor. Viridin metabolite. Shows necrotic effects on plants. Shows antifungal effects in vivo.

Storage

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

≥95%

Names and Identifiers

• Canonical Smiles: CC12C(C(C(C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O)OC)O
• IUPAC Name: (1R,16R,17S,18S)-16,18-dihydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione
• InChIKey: JZAFRYPNQHUUMQ-HUYLIWGRSA-N
• INCHI: 1S/C20H18O6/c1-20-11-5-3-8-9(4-6-12(8)21)13(11)16(23)17-14(20)10(7-26-17)15(22)18(25-2)19(20)24/h3,5,7,15,18-19,22,24H,4,6H2,1-2H3/t15-,18-,19-,20-/m1/s1
• Isomeric SMILES: C[C@]12[C@@H]([C@@H]([C@@H](C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O)OC)O
• PubChem CID: 5459246
• Molecular Weight: 354.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthofurans Indanones Naphthalenes Aryl alkyl ketones Heteroaromatic compounds Furans Secondary alcohols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenanthrene - Naphthofuran - Indanone - Naphthalene - Indane - Aryl alkyl ketone - Aryl ketone - Furan - Heteroaromatic compound - Ketone - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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
• Molecular Weight: 354.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 354.11 Da
• Monoisotopic Mass: 354.11 Da
• Topological Polar Surface Area: 97.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 648.000
• 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