12-O-Methylcarnosic acid - ≥98% , CAS No.62201-71-2

CAS: 62201-71-2 Cat. No.: M463864 分子式: C₂₁H₃₀O₄ 分子量: 346.46 EC番号: 804-207-4

GRADE & PURITY ≥98%

Synonyms

(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid | SCHEMBL9923660 | HY-N7510 | XM165812 | AKOS040760925 | 12-O-Methylcarnosic acid | 12-Methoxycarnosic acid, >=95% (LC/MS-ELSD) | PD158737 |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

12-O-Methylcarnosic acid is a natural product derived from a plant source. It is a diterpene and can be sourced from Salvia microphylla.

Specifications

同義語

(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid | SCHEMBL9923660 | HY-N7510 | XM165812 | AKOS040760925 | 12-O-Methylcarnosic acid | 12-Methoxycarnosic acid, >=95% (LC/MS-ELSD) | PD158737 |

仕様と純度

≥98%

生化学的・生理学的メカニズム

12-O-Methylcarnosic acid is known to possess in vitro antileishmanial activity. It also functions as an antioxidant.

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

カノニカル・スマイル

CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC

IUPAC Name

(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid

InChIKey

QQNSARJGBPMQDI-YCRPNKLZSA-N

INCHI

1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1

異性体SMILES

CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O)OC

UN番号

3077

分子量

346.46

Reaxy-Rn

58816930

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58816930&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Hydrophenanthrenes Naphthalenecarboxylic acids Tetralins Cumenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Abietane diterpenoid - Diterpenoid - Phenanthrene - Hydrophenanthrene - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Tetralin - Cumene - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• 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

関連ターゲット（人間）

AGS (1999 Activities)

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MRC5 (9203 Activities)

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HepG2 (196354 Activities)

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関連ターゲット（非人間）

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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Leishmania donovani (89745 Activities)

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L6 (7924 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive;Moisture sensitive
• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 346.500 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 346.214 Da
• Monoisotopic Mass: 346.214 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 514.000
• 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

よくある質問

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, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 62201-71-2, the molecular formula is C21H30O4, and the molecular weight is 346.46 g/mol. InChIKey QQNSARJGBPMQDI-YCRPNKLZSA-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.