Pseudolaric Acid C - ≥99% , CAS No.82601-41-0

CAS: 82601-41-0 Cat. No.: P646376 분자식: C₂₁H₂₆O₇ 분자량: 390.4 EC 번호: 683-227-3 PubChem CID: 6440704

GRADE & PURITY ≥99%

Synonyms

PSEUDOLARICACIDC | Pseudolaric-Acid-C | HY-N0672 | NSC 377107 | AC-34827 | AKOS037514805 | PSEUDOLARIC ACID C | (2E,4E)-5-[(7S,1R,8R)-7-Hydroxy-4-(methoxycarbonyl)-9-methyl-10-oxa-11-oxotricyclo[6.3.2.0<1,7>]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic aci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis , has antifungal activity.

Form:Solid

Specifications

동의어

PSEUDOLARICACIDC | Pseudolaric-Acid-C | HY-N0672 | NSC 377107 | AC-34827 | AKOS037514805 | PSEUDOLARIC ACID C | (2E,4E)-5-[(7S,1R,8R)-7-Hydroxy-4-(methoxycarbonyl)-9-methyl-10-oxa-11-oxotricyclo[6.3.2.0<1,7>]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic aci

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis , has antifungal activity.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

• 정식 스마일: CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)O)C(=O)O1)C)C(=O)O
• IUPAC Name: (2E,4E)-5-[(1R,7S,8R,9R)-7-hydroxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
• InChIKey: RBXVTEUAOTYIME-GPGKBOPFSA-N
• INCHI: 1S/C21H26O7/c1-13(16(22)23)5-4-9-19(2)15-8-11-20(18(25)28-19)10-6-14(17(24)27-3)7-12-21(15,20)26/h4-6,9,15,26H,7-8,10-12H2,1-3H3,(H,22,23)/b9-4+,13-5+/t15-,19+,20+,21-/m0/s1
• 이성체 SMILES: C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)O)C(=O)O1)C)/C(=O)O
• 대체 CAS: 82601-41-0
• PubChem CID: 6440704
• 분자량: 390.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene lactones
• Alternative Parents: Sphenolobane diterpenoids Tricarboxylic acids and derivatives Oxepanes Delta valerolactones Oxanes Tertiary alcohols Methyl esters Enoate esters Cyclic alcohols and derivatives Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Diterpene lactone - Prenyldaucane diterpenoid - Diterpenoid - Tricarboxylic acid or derivatives - Caprolactone - Delta valerolactone - Oxepane - Delta_valerolactone - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
• 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

관련 대상(인간)

HL-60 (67320 Activities)

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관련 대상(비인간)

Nannizzia gypsea (2039 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus flavus (8875 Activities)

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Bacillus subtilis (32866 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Mycobacterium intracellulare (1532 Activities)

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Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (256.13 mM; Need ultrasonic)
• 분자량: 390.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 390.168 Da
• Monoisotopic Mass: 390.168 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 808.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 82601-41-0, the molecular formula is C21H26O7, and the molecular weight is 390.4 g/mol. InChIKey RBXVTEUAOTYIME-GPGKBOPFSA-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.