디지톡시게닌 - ≥95%(HPLC) , CAS No.143-62-4

Name: 디지톡시게닌 - ≥95%(HPLC) , CAS No.143-62-4
SKU: D154656
Availability: InStock

CAS: 143-62-4 Cat. No.: D154656 분자식: C₂₃H₃₄O₄ 분자량: 374.52 Beilstein Registry Number: 18(3/4)1468 EC 번호: 205-603-4

COA

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디지톡시게닌 - ≥95%(HPLC) CAS No(143-62-4) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥95%(HPLC)

Synonyms

Storage

20°C, 아르곤 충전 상태로 보관

Shipped In

아이스 박스 + 아이스 패드

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

≥95%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

20°C, 아르곤 충전 상태로 보관 Ships 아이스 박스 + 아이스 패드 Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

디지톡시게닌은 디지톡신의 아글리콘입니다.
디지톡시게닌은 암 세포 독성에 대한 입체 화학적 효과를 평가하는 연구에 사용되었습니다. 또한 디지톡신 조립을 위한 글리코실 오알킬 벤조산염의 금(I) 촉매 당화 작용의 이점을 조사하는 연구에도 사용되었습니다.

Specifications

동의어

사양 및 순도

≥95%(HPLC)

보관 조건

20°C, 아르곤 충전 상태로 보관

배송

아이스 박스 + 아이스 패드

순수함

≥95%(HPLC)

이름과 식별자

Pubchem Sid	528772362
정식 스마일	CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChIKey	XZTUSOXSLKTKJQ-CESUGQOBSA-N
INCHI	1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
이성체 SMILES	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
RTECS	FH4975000
분자량	374.52
Beilstein	18(3/4)1468
Reaxy-Rn	1297690
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1297690&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - 분류 Steroids and steroid derivatives
    - Subclass Steroid lactones

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
분류	Steroids and steroid derivatives
Subclass	Steroid lactones
Intermediate Tree Nodes	Not available
Direct Parent	Cardenolides and derivatives
Alternative Parents	3-beta-hydroxysteroids 14-hydroxysteroids Butenolides Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Cardanolide-skeleton - 3-hydroxysteroid - 3-beta-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - 2-furanone - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors	Cardanolides and derivatives
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

3D 구조

관련 대상(인간)

ATP12A Tchem Potassium-transporting ATPase alpha chain 2 (1 Activities)

Discover Target: ATP12A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ATP1A1 Tclin Sodium/potassium-transporting ATPase alpha-1 chain (7 Activities)

Discover Target: ATP1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATP12A Tchem Potassium-transporting ATPase alpha chain 2 (83 Activities)

Discover Target: ATP12A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	날짜	항목
G2219441	Certificate of Analysis	May 08, 2026	D154656
G2219447	Certificate of Analysis	May 08, 2026	D154656
G2219448	Certificate of Analysis	May 08, 2026	D154656
D2608098	Certificate of Analysis	Apr 16, 2026	D154656
H2028052	Certificate of Analysis	Jun 13, 2024	D154656

용해성	Solubility in water: Practically insoluble; Soluble in Acetone,Chloroform,Alcohol; Very slightly soluble in Ether
감도	Moisture sensitive.
특정 회전[α]	18° (C=1,MeOH)
녹는점(°C)	253°C
분자량	374.500 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	374.246 Da
Monoisotopic Mass	374.246 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	686.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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