콜레스테릴 올염

Cholesteryl Oleate

HCID 5283632CAS 303-43-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
InChIKey
RJECHNNFRHZQKU-RMUVNZEASA-N
분자식
C45H78O2
평균 분자량
651.1 g/mol
단동위원소 질량
650.60018174

개요

Cholesteryl oleate is the (Z)-stereoisomer of cholesteryl octadec-9-enoate. It has a role as a mouse metabolite. It is a CE(18:1) and a cholesteryl octadec-9-enoate. It is functionally related to an oleic acid.

이름 및 식별자

우선 이름
Cholesteryl Oleate
IUPAC
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
현지명
콜레스테릴 올염
영어명
Cholesteryl oleate
분자식
C45H78O2
분자량
651.12

이름 및 동의어

Cholesteryl oleateOleoylcholesterol303-43-5Cholesterol OleateCholesteryl cis-9-octadecenoateOleic acid cholesteryl esterCholest-5-en-3-beta-yl oleateCholesterol, oleate3DPK9KFN2MDTXSID901014621YOFCO LC-CO-D[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
이름 더 보기
콜레스테릴올염콜레스테릴올염콜레스테릴올리에이트C18:1 CE18:1 Chol EstercholestreyloleateCholestereyl oleateCholesteroyl-oleateCHOLESTERYL OLEATE 97%CHOLESTERYL OLEATE(RG)
Cholest-5-en-3-ol (3beta)-, 3-[(9Z)-9-octadecenoate]CHEBI:46898NSC-18186Cholest-5-en-3-ol (3beta)-, (9Z)-9-octadecenoateCholest-5-en-3-ol (3beta)-, 3-((9Z)-9-octadecenoate)((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) (Z)-octadec-9-enoateRefChem:125721DTXCID601437167

데이터베이스 식별자

CAS
303-43-5
PubChem CID
5283632
DTXSID
DTXSID901014621
ChEMBL
CHEMBL1097567
ChEBI
CHEBI:46898
UNII
3DPK9KFN2M
EC Number
206-142-1
Nikkaji
J193.711A

물성

구조 계산 물성

XLogP
16.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
22
무거운 원자 수
47

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Cholesterol and Derivatives
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Steryl esters [ST0102]
CosmeticsSkin conditioning
Physical DescriptionWhite waxy solid; Odorless; [Alfa Aesar MSDS]
Collision Cross Section · 2건

289.9 Ų [M+NH4]+ [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]

282.99 Ų [M+NH4]+ [CCS Type: TIMS; Method: single field calibrated]

물리화학적 성질

녹는점
44 · 44-47 °C (lit.)
끓는 점
617.95 °C · 617.95°C (rough estimate)
밀도
0.9287 · 0.9287 (rough estimate)
굴절률
-20 ° · -20 ° (C=2, THF)
인화점
230 °F · >230 °F
저장 조건
-20 °C · -20°C

화학적 성질

white to off-white powder, lumpy powder or pale

안전 및 규제

유해성 정보

Regulatory Information · 2건

Chemical: Cholest-5-en-3-ol, 9-octadecenoate, (3.beta.)-,(Z)-

Cholest-5-en-3-ol (3.beta.)-, (9Z)-9-octadecenoate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

안전 데이터

wgk
3
tsca
TSCA listed
위험 등급
IRRITANT
기존화학 물질
KE-05952
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-[(9Z)-9-octadecenoate]: ACTIVE

응용 분야

개요Cholesteryl oleate is a cholesterol ester. It has been used in the generation of nanoparticles and liposomes for drug delivery.

용도Cholesteryl oleate was used to study the ability of silicone hydrogel contact lenses to absorb tear lipids, cholesterol and cholesterol esters. It was also used in the development of amperometric cholesterol biosensors.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

추가 설명

정의ChEBI: The (Z)-stereoisomer of cholesteryl octadec-9-enoate.

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