23-Hydroxytormentic acid - ≥95%(LC/MS-ELSD) , CAS No.70868-78-9

CAS: 70868-78-9 Cat. No.: H463877 분자식: C₃₀H₄₈O₆ 분자량: 504.7 EC 번호: 804-195-0

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

Q27136389 | HY-N8164 | (2alpha,3beta)-2,3,19,23-tetrahydroxyurs-12-en-28-oic acid | 19 | 19 alpha-Hydroxyasiatic acid | E88645 | 23-Hydroxytormentic acid, >=95% (LC/MS-ELSD) | 19Alpha-Hydroxyasiatic Acid | A-Hydroxyasiatic acid | MS-29376 | Niga-ichigosid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Description

Natural product derived from plant source.}

Specifications

동의어

Q27136389 | HY-N8164 | (2alpha,3beta)-2,3,19,23-tetrahydroxyurs-12-en-28-oic acid | 19 | 19 alpha-Hydroxyasiatic acid | E88645 | 23-Hydroxytormentic acid, >=95% (LC/MS-ELSD) | 19Alpha-Hydroxyasiatic Acid | A-Hydroxyasiatic acid | MS-29376 | Niga-ichigosid

사양 및 순도

≥95%(LC/MS-ELSD)

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥95%(LC/MS-ELSD)

이름과 식별자

• 정식 스마일: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O
• IUPAC Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• InChIKey: YCOKATFNRPZIIU-NIZSJLHKSA-N
• INCHI: 1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1
• 이성체 SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
• 분자량: 504.7
• Reaxy-Rn: 15488958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15488958&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: 12-beta-hydroxysteroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 12-hydroxysteroid - Hydroxysteroid - 12-beta-hydroxysteroid - Steroid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: hydroxy monocarboxylic acid - tetrol - pentacyclic triterpenoid

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)

C8166 (1658 Activities)

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HEK293 (82097 Activities)

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관련 대상(비인간)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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Human immunodeficiency virus 1 (70413 Activities)

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rhinovirus A1B (360 Activities)

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Sindbis virus (1599 Activities)

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RAW264.7 (28094 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 분자량: 504.700 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 504.345 Da
• Monoisotopic Mass: 504.345 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 978.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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

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 70868-78-9, the molecular formula is C30H48O6, and the molecular weight is 504.7 g/mol. InChIKey YCOKATFNRPZIIU-NIZSJLHKSA-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.