5alpha-Cholestane

HCID 2723895

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14982-53-7
표준 SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: XIIAYQZJNBULGD-XWLABEFZSA-N
분자식: C27H48
평균 분자량: 372.7 g/mol
단동위원소 질량: 372.37560153

개요

5alpha-cholestane is the 5alpha-stereoisomer of cholestane.

이름 및 식별자

우선 이름: 5alpha-Cholestane
IUPAC: (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]phenanthrene
영어명: 5α-Cholestane
분자식: C27H48
분자량: 372.67

이름 및 동의어

5alpha-Cholestane481-21-0alpha-Cholestane(5alpha)-Cholestane5-alpha-Cholestane28,29,30-TrinorlanostaneCholestane, (5alpha)-U260HWN305CHEBI:35515DTXSID20880725NSC-224419(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]phenanthrene

이름 더 보기

NSC 224419α-Cholestane5α-Cholestane5-α-cholestaneCholestane(5α)(5A)-CHOLESTANECholestane, (5α)-

(1S,2S,7R,10R,11S,14R,15R)-2,15-dimethyl-14-((2R)-6-methylheptan-2-yl)tetracyclo(8.7.0.0^(2,7).0^(11,15))heptadecane(1S,2S,7R,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane(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)phenanthreneRefChem:1073378DTXCID201022087207-562-8Cholestane5-I+/--cholestane

데이터베이스 식별자

CAS: 14982-53-7、481-21-0
PubChem CID: 2723895
DTXSID: DTXSID20880725
ChEMBL: CHEMBL3138638
ChEBI: CHEBI:35515
UNII: U260HWN305
EC Number: 207-562-8
Nikkaji: J36.689G

물성

구조 계산 물성

XLogP: 11.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 5
무거운 원자 수: 27
형식 전하: 0
복잡도: 506

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Cholesterol and Derivatives

SpringerMaterials PropertiesBoiling point

Melting Point80 - 80.5 °C

Physical Description · 2건

Solid; [Merck Index] White solid; [Acros Organics MSDS]

Solid

물리화학적 성질

녹는점: 78 · 78-80 °C
끓는 점: 250 °C · 250 °C (1 mmHg)
밀도: 0.909 · 0.9090
굴절률: 1.4887 · 1.4887
저장 조건: room temp
용해도: 1 mg/mlDMSO: · DMF: 1 mg/mlDMSO: 0.1 mg/mlEthanol: 20 mg/mlEthanol: PBS (pH 7.2)(1:2): 0.1 mg/mlPBS (pH 7.2): 0.1 mg/ml
물리적 상태: 결정성 분말
색상: 하얀색
Merck: 13 · 13,2219
BRN: 2051806 · 2051806
InChI: 1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey: XIIAYQZJNBULGD-XWLABEFZSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
LogP: 11.945 · 11.945 (est)
EPA: Cholestane, (5.alpha.)- (481-21-0)

화학적 성질

WHITE CRYSTALLINE POWDER

안전 및 규제

유해성 정보

Hazards SummaryMay cause irritation; [Acros Organics MSDS]

안전 데이터

wgk: 3
ridadr: UN 1888 6.1/PG 3
HS 번호: 29021990
risk_code: 22-38-40-48/20/22-67-36/38-20-63
hazard_code: Xn
safety_code: 24/25-36/37-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야 · 2건

개요5α-Cholestane is a sterol that has been found in dust samples from urban and rural paved and agricultural and public unpaved roads. It has been used as an internal standard for the quantification of phytosterols by HPLC-MS/MS and fecal sterols by GC-FID and GC-MS.

용도5α-Cholestane was used as standard in cholesterol analysis by GC and HPLC.

공급사85 곳

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

추가 설명

정의ChEBI: The 5alpha-stereoisomer of cholestane.

화합물 노트

불러오는 중…