Reticulol - ≥98% , CAS No.26246-41-3

CAS: 26246-41-3 Cat. No.: R275602 분자식: C₁₁H₁₀O₅ 분자량: 222.19 PubChem CID: 5359036

GRADE & PURITY ≥98%

Synonyms

HB4057 | NSC 294978 | 6,8-Dihydroxy-7-methoxy-3-methylisocoumarin | HY-120241 | K-251-1 | NSC294978 | NSC-294978 | 6,8-Dihydroxy-7-methoxy-3-methyl-1H-isochromen-1-one | AKOS040749287 | Isocoumarin, 6,8-dihydroxy-7-methoxy-3-methyl- | E2RA5C4YRR | K 251-1

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

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

Specifications

동의어

HB4057 | NSC 294978 | 6,8-Dihydroxy-7-methoxy-3-methylisocoumarin | HY-120241 | K-251-1 | NSC294978 | NSC-294978 | 6,8-Dihydroxy-7-methoxy-3-methyl-1H-isochromen-1-one | AKOS040749287 | Isocoumarin, 6,8-dihydroxy-7-methoxy-3-methyl- | E2RA5C4YRR | K 251-1

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Biological description': "Topoisomerase I inhibitor. Antiproliferative agent.

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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참고

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.

순수함

≥98%

이름과 식별자

정식 스마일

CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)O

IUPAC Name

6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one

InChIKey

LREZRXWUEZCZRU-UHFFFAOYSA-N

INCHI

1S/C11H10O5/c1-5-3-6-4-7(12)10(15-2)9(13)8(6)11(14)16-5/h3-4,12-13H,1-2H3

이성체 SMILES

CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)O

PubChem CID

5359036

분자량

222.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Isocoumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Isocoumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocoumarins and derivatives
• Alternative Parents: 2-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isocoumarin - Benzopyran - 2-benzopyran - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Pyran - Benzenoid - Vinylogous acid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
• 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

화학 및 물리적 특성

• 용해성: Soluble in ethanol and in DMSO
• 분자량: 222.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 222.053 Da
• Monoisotopic Mass: 222.053 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 324.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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