베타-시토스테롤

(-)-beta-Sitosterol

HCID 222284CAS 5779-62-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIKey
KZJWDPNRJALLNS-VJSFXXLFSA-N
분자식
C29H50O
평균 분자량
414.7 g/mol
단동위원소 질량
414.38616621

이름 및 식별자

우선 이름
(-)-beta-Sitosterol
IUPAC
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
현지명
베타-시토스테롤
영어명
beta-Sitosterol
분자식
C29H50O
분자량
414.72

이름 및 동의어

BETA-SITOSTEROL83-46-5SitosterolAzuprostatCincholQuebracholRhamnol22,23-Dihydrostigmasterolbeta-SitosterinTriastonal(-)-beta-SitosterolNimbosterol
이름 더 보기
베타-시토스테롤β-SitosterolPHYTOSTEROLSterolStigmast-5-en-3beta-olSITO
alpha-DihydrofucosterolProstasal24alpha-EthylcholesterolB-Sitosterol(24R)-Ethylcholest-5-en-3beta-ol(3beta)-Stigmast-5-en-3-ol(24R)-Stigmast-5-en-3beta-ol24-alpha-Ethylcholesterol

데이터베이스 식별자

CAS
5779-62-4、83-46-5
PubChem CID
222284
DTXSID
DTXSID5022481
ChEMBL
CHEMBL221542
ChEBI
CHEBI:27693
UNII
S347WMO6M4
EC Number
201-480-6
Nikkaji
J4.633G

물성

구조 계산 물성

XLogP
9.3
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
6
무거운 원자 수
30

실험 및 물리화학적 성질

Solubility10 mg/mL
Melting Point140 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
136 · 136-140 °C(lit.)
끓는 점
473.52 °C · 473.52°C (rough estimate)
밀도
0.954 · 0.9540 (rough estimate)
굴절률
1.5 · 1.5000 (estimate)
저장 조건
2 · 2-8°C
용해도
20 mg/mL, · 클로로포름: 20 mg/mL, 투명, 무색

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99% (99 of 100) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 99 of 100 companies (only 1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 100 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 99 of 100 reports by companies.；There is 1 notification provided by 1 of 100 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: Stigmast-5-en-3-ol, (3.beta.)-

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

Hazard Classes and CategoriesNot Classified

독성 정보

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

beta-Sitosterol

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

규제 정보

Regulatory Information · 2건

Chemical: Stigmast-5-en-3-ol, (3.beta.)-

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

안전 데이터

wgk
3
rtecs
WJ2600000
ridadr
UN 1888 6.1/PG 3
HS 번호
29061990
risk_code
22-38-40-48/20/22-36/37/38-67-36/38-20-63
hazard_code
Xn,Xi

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Tissue LocationsFibroblasts；Intestine；Kidney；Liver；Prostate；Testis
Cellular LocationsExtracellular；Membrane

용도 및 제조

Uses · 2건

CIR ingredient: Beta-Sitosterol

Use (kg; approx.) in Germany (2009): >75；Consumption (g per capita; approx.) in Germany (2009): 0.000916；Calculated removal (%): 97.7

Use ClassificationCosmetics -> Emulsion stabilizing; Stabilizing; Skin conditioning
응용 분야 · 2건

개요24α-ethyl Cholesterol is a naturally occurring plant sterol with antioxidant, anticancer, anti-inflammatory, angiogenic, chemopreventive, and immunomodulatory activities. It inhibits the absorption of dietary and endogenously-produced cholesterol from the small intestine, reducing blood cholesterol concentrations. Because of its nutraceutical benefits, 24α-ethyl cholesterol has been used as a food additive intended to lower LDL cholesterol. 24α-ethyl Cholesterol (0.1 - 100 μM) can dose-dependently induce adipogenesis and lipolysis in rat primary preadipocytes as well as stimulate glucose uptake in differentiated adipocytes.

일반 설명Sitosterol, also called as β-sitosterol, is synthesized through the mevalonate and deoxy xylulose pathways. Synthetically, it is synthesized from stigmasterol by Δ22–23 alkene group hydrogenation. Structurally sitosterol differ from cholesterol with ethyl (sitosterol) group in C24 position of side chain(65). Sitosterol is a lipid component of membranes. It corresponds to a molecular mass of 414.71 g/mol).

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
추가 설명 · 1건

정의sterol: Any of a group of steroidbasedalcohols having a hydrocarbonside-chain of 8–10 carbon atoms.Sterols exist either as free sterols oras esters of fatty acids. Animal sterols(zoosterols) include cholesterol andlanosterol. The major plant sterol(phytosterol) is beta-sitosterol, whilefungal sterols (mycosterols) includeergosterol.

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