Sitostanol

HCID 241572

기본 정보

CAS: 19466-47-8
표준 SMILES: CC[C@H](CC[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)C(C)C
InChIKey: LGJMUZUPVCAVPU-HRJGVYIJSA-N
분자식: C29H52O
평균 분자량: 416.7 g/mol
단동위원소 질량: 416.40181628

개요

Stigmastanol is a 3-hydroxy steroid that is 5alpha-stigmastane which is substituted at the 3beta position by a hydroxy group. It has a role as an anticholesteremic drug and a plant metabolite. It is a member of phytosterols and a 3-hydroxy steroid. It derives from a hydride of a 5alpha-stigmastane.

이름 및 식별자

우선 이름: Sitostanol
IUPAC: (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
영어명: Stigmastanol
분자식: C29H52O
분자량: 416.72

이름 및 동의어

STIGMASTANOLsitostanol83-45-4SpinastanolDihydrositosterin5alpha-Stigmastan-3beta-ol24alpha-Ethylcholestanol5,6-Dihydro-beta-sitosterolDihydro-beta-sitosterolStigmastan-3-ol, (3beta,5alpha)-C2NJ9WO6O7Dihydrositosterol

이름 더 보기

FUCOSTANOLStigmastan-3β-olSTIGMASTAN-3BETA-OLSIGMASTANOLB-SITOSTANOLβ-sistostanolStigumastanolBETA-SITOSTANOL

NSC-49081CHEBI:89400(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol(3S,5S,8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:50712DTXSID50860237(3 beta,5 alpha)-stigmastan-3-ol24 alpha-ethyl-5alpha-choestan-3beta-ol

데이터베이스 식별자

CAS: 19466-47-8、83-45-4
PubChem CID: 241572
DTXSID: DTXSID201016169
ChEMBL: CHEMBL252364
ChEBI: CHEBI:89400
UNII: C2NJ9WO6O7
EC Number: 201-479-0
Nikkaji: J4.631K

물성

구조 계산 물성

XLogP: 10.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 6
무거운 원자 수: 30
형식 전하: 0
복잡도: 583

실험 및 물리화학적 성질

LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Stigmasterols and C24-ethyl derivatives [ST0104]

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 137 °C · 137 °C
끓는 점: 471.9 · 471.9±13.0 °C(Predicted)
밀도: 0.948 · 0.948±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 아세톤(약간 용해됨), 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 15.14 · 15.14±0.70(Predicted)
색상: 흰색에서 황백색까지
Merck: 8814 · 8814
InChIKey: LGJMUZUPVCAVPU-FNTHTIGCNA-N
SMILES: [C@@]12([H])CC[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CC[C@@H](CC)C(C)C |&1:0,4,7,11,13,17,19,22,24,28,r|
EPA: -3 · Stigmastan-3.beta.-ol (19466-47-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Stigmastan-3-ol, (3.beta.,5.alpha.)-

Stigmastan-3-ol, (3.beta.,5.alpha.)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

wgk: -
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24-26-36
Hazard Classifications: Aquatic Chronic 4
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances used to lower plasma CHOLESTEROL levels.

응용 분야

용도Stigmastanol is a plant lipid molecule that resembles cholesterol.

공급사32 곳

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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