Determine the necessary mass, volume, or concentration for preparing a solution.
Eicosanyl caffeate - ≥95% , CAS No.28593-90-0
주문 가능
등급 & 순도 ≥95%
Storage
Room temperature
Shipped In
Normal
이 등급을 선택하는 이유
≥95% 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.
보관 및 배송
Room temperature Normal 출고. 정확한 사양은 로트별 COA를 확인하세요.
품질 문서
SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.
문헌적 근거
크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.
사양
사양 및 순도
≥95%
보관 조건
Room temperature
배송
Normal
순수함
≥95%
이름과 식별자
정식 스마일
CCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O
IUPAC Name
icosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKey
LTSJTDDQUOUKJT-XTQSDGFTSA-N
INCHI
1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)23-21-26-20-22-27(30)28(31)25-26/h20-23,25,30-31H,2-19,24H2,1H3/b23-21+
이성체 SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
대체 CAS
905726-67-2
PubChem CID
5320238
문서
📋 안전 데이터 시트(SDS)
위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.
<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3고급 데이터
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| 분류 | Cinnamic acids and derivatives |
| Subclass | Hydroxycinnamic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumaric acids and derivatives |
| Alternative Parents | Fatty alcohol esters Cinnamic acid esters Styrenes Catechols Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Coumaric acid or derivatives - Fatty alcohol ester - Cinnamic acid ester - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 460.700 g/mol |
|---|---|
| XLogP3 | 12.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 22 |
| Exact Mass | 460.355 Da |
| Monoisotopic Mass | 460.355 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 476.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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