루이솔 A - ≥98% , CAS No.225110-59-8

CAS: 225110-59-8 Cat. No.: L276072 분자식: C₁₆H₁₈O₇ 분자량: 322.31 PubChem CID: 10782062

GRADE & PURITY ≥98%

Synonyms

DTXSID601100859 | rel-(-)-(4R,6S,6aR,7S,12R,12aS)-3,4,6,6a,7,12-Hexahydro-6a,7,8,12-tetrahydroxy-6-methyl-4,12a-methano-2H,12aH-naphtho[2,3-b]-1,5-dioxocin-2-one | SCHEMBL16431689 | (1S,2R,9S,10R,11S,13R)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracy

Storage

20°C, 건조 보관

Shipped In

아이스 박스 + 아이스 패드

개요

20°C에서 보관하십시오. 건조 조건에서 보관하세요. 최대 12개월까지 보관할 수 있습니다.

Specifications

동의어

DTXSID601100859 | rel-(-)-(4R,6S,6aR,7S,12R,12aS)-3,4,6,6a,7,12-Hexahydro-6a,7,8,12-tetrahydroxy-6-methyl-4,12a-methano-2H,12aH-naphtho[2,3-b]-1,5-dioxocin-2-one | SCHEMBL16431689 | (1S,2R,9S,10R,11S,13R)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracy

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

안트라퀴논 항생제 유사체. 고도로 산소화된 폴리케타이드 락톤. 종양 세포주에 대해 약한 세포 독성 효과를 나타냅니다. 생체 내에서 항기생충 효과를 나타냅니다.

보관 조건

20°C, 건조 보관

배송

아이스 박스 + 아이스 패드

참고

가능하면 당일에 용액을 준비하여 사용하는 것이 좋습니다. 그러나 미리 원액을 만들어야 하는 경우에는 -20°C에서 단단히 밀봉된 바이알에 소량씩 보관하는 것이 좋습니다. 일반적으로 최대 한 달 동안 사용할 수 있습니다. 사용하기 전에 바이알을 개봉하기 전에 제품을 실온에서 1시간 이상 평형화할 것을 권장합니다. 용해도, 사용법 및 취급에 대한 추가 정보가 필요하신가요? 자주 묻는 질문(FAQ) 페이지에서 자세한 내용을 확인하세요.

순수함

≥98%

이름과 식별자

• 정식 스마일: CC1C2(C(C3=C(C=CC=C3O)C(C24CC(O1)CC(=O)O4)O)O)O
• IUPAC Name: (1S,2R,9S,10R,11S,13R)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.01,10.03,8]heptadeca-3(8),4,6-trien-15-one
• InChIKey: YAYLZJMYAWCSFK-MAHXAKIKSA-N
• INCHI: 1S/C16H18O7/c1-7-16(21)14(20)12-9(3-2-4-10(12)17)13(19)15(16)6-8(22-7)5-11(18)23-15/h2-4,7-8,13-14,17,19-21H,5-6H2,1H3/t7-,8-,13+,14-,15-,16-/m0/s1
• 이성체 SMILES: C[C@H]1[C@@]2([C@H](C3=C(C=CC=C3O)[C@H]([C@@]24C[C@@H](O1)CC(=O)O4)O)O)O
• PubChem CID: 10782062
• 분자량: 322.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Naphthopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Naphthopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyrans
• Alternative Parents: Tetralins Naphthalenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Delta valerolactones Oxanes Monosaccharides Pyrans Tertiary alcohols Carboxylic acid esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Polyols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthopyran - Tetralin - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Delta valerolactone - Delta_valerolactone - Phenol - Benzenoid - Pyran - Monosaccharide - Oxane - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Polyol - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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 DMSO
• 분자량: 322.310 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 322.105 Da
• Monoisotopic Mass: 322.105 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 525.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 225110-59-8, the molecular formula is C16H18O7, and the molecular weight is 322.31 g/mol. InChIKey YAYLZJMYAWCSFK-MAHXAKIKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.