기본 정보
- CAS
360-68-9- 표준 SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
QYIXCDOBOSTCEI-NWKZBHTNSA-N- 분자식
- C27H48O
- 평균 분자량
- 388.7 g/mol
- 단동위원소 질량
- 388.37051615
개요
Coprostanol is a member of the class of phytosterols that is 5beta-cholestane carrying a hydroxy substituent at the 3beta-position. It has a role as a plant metabolite, an environmental contaminant and a human urinary metabolite. It is a member of phytosterols, a 3-hydroxy steroid and a cholestanoid. It derives from a hydride of a 5beta-cholestane.
이름 및 식별자
- 우선 이름
- Coprostanol
- IUPAC
- (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
- 현지명
- 코프로스타놀
- 영어명
- COPROSTANOL
- 분자식
- C27H48O
- 분자량
- 388.68
이름 및 동의어
CoprosterolCOPROSTANOL360-68-9Stercorin5beta-Cholestan-3beta-olKoprosterinKoprosterolPPT67I3S74NSC-5060NSC-18175DTXSID1052036CHEBI:89519
이름 더 보기
코프로스타놀ZymostanolCholestan-3-olCOPROSTAN-3B-OL5beta-cholestanol
(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olCholestan-3-ol, (3beta,5beta)-(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:127930DTXCID6030603206-638-8Coprostan-3-ol5-beta-Cholestan-3-beta-ol
데이터베이스 식별자
- CAS
360-68-9- PubChem CID
- 221122
- DTXSID
DTXSID1052036- ChEMBL
CHEMBL2048325- ChEBI
CHEBI:89519- UNII
- PPT67I3S74
- EC Number
- 206-638-8
물성
구조 계산 물성
- XLogP
- 9.4
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 540
실험 및 물리화학적 성질
Chemical Classes
Biological Agents -> Cholesterol and Derivatives
Hormone and(or) waste-water effluent contaminant
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]
Melting Point102 °C
Physical Description
Solid; [Merck Index]
Solid
물리화학적 성질
- 녹는점
- 101 ° · 101°
- 끓는 점
- 454.32 °C · 454.32°C (rough estimate)
- 밀도
- 0.9506 · 0.9506 (rough estimate)
- 굴절률
- 1.525 · 1.5250 (estimate)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 15.14 · 15.14±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- InChIKey
- QYIXCDOBOSTCEI-NWKZBHTNSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
독성 정보
USGS Health-Based Screening Levels for Evaluating Water-Quality
3-beta-Coprostanol
Hormone and(or) waste-water effluent contaminant
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsIntestine
Cellular LocationsExtracellular
용도 및 제조
UsesDetected in feces of humans and carnivores; [Merck Index] Main sterol of the feces produced by the reduction of cholesterol by intestinal bacteria. [Stedman's Medical Dictionary]
응용 분야
용도Coprostan-3-ol is a 27-carbon stanol resulted from biohydrogenation of cholesterol in the gut of most higher animals. It is a common biomarker for the presence of human faecal matter in the environment (1,2).This compound is a contaminant of emerging concern (CECs).
일반 설명Coprostan-3-ol is a cholesterol derivative that can be prepared from 5β-cholestan-3-one via reduction.
공급사31 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…