5알파-콜레스탄-3-원

5alpha-Cholestan-3-one

HCID 92128

기본 정보

CAS: 566-88-1
표준 SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: PESKGJQREUXSRR-UXIWKSIVSA-N
분자식: C27H46O
평균 분자량: 386.7 g/mol
단동위원소 질량: 386.35486609

개요

5alpha-cholestan-3-one is a 3-oxo-5alpha- steroid that is 5alpha-cholestane substituted by an oxo group at position 3. It has a role as a mammalian metabolite. It is a 3-oxo-5alpha-steroid and a 3-oxocholestane. It derives from a hydride of a 5alpha-cholestane.

이름 및 식별자

우선 이름: 5alpha-Cholestan-3-one
IUPAC: (5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
현지명: 5알파-콜레스탄-3-원
영어명: 5alpha-Cholestan-3-one
분자식: C27H46O
분자량: 386.65

이름 및 동의어

5alpha-Cholestan-3-one566-88-15alpha-Cholestanone(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-oneCHEBI:17762DTXSID001016294(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-oneRefChem:1073377DTXCID2015060515A-Cholestan-3-one5|A-Cholestan-3-one5alpha-Cholestane-3-one

이름 더 보기

5알파-콜레스탄-3-원CHOLESTANONE5α-Cholestan-3-one5αZK-460235α-Cholestanone-Cholestan-3-one5à-cholestan-3-oneCHOLESTAN-3-ONE(RG)

(5alpha)-Cholestan-3-one(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-oneCholestan-3-one5-a-Cholestan-3-one3-Keto-5alpha-cholestane5-alpha-Cholestan-3-oneMFCD00065901Cholestan-3-one, (5a)-

데이터베이스 식별자

CAS: 566-88-1
PubChem CID: 92128
DTXSID: DTXSID001016294
ChEMBL: CHEMBL69941
ChEBI: CHEBI:17762
Nikkaji: J149.976I

물성

구조 계산 물성

XLogP: 8.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 28
형식 전하: 0
복잡도: 579

실험 및 물리화학적 성질

LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]

SpringerMaterials PropertiesCrystal structure

Endocrine DisruptorsPotential endocrine disrupting compound

Melting Point128 - 130 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 128 · 128-133 °C
끓는 점: 452.9 · 452.9±13.0 °C(Predicted)
밀도: 0.953 · 0.953
저장 조건: Refrigerator
용해도: 클로로포름(소량으로 용해)
물리적 상태: 수정 같은
색상: 흰색에서 황백색까지
수용성: 물에 불용성.
BRN: 2625580 · 2625580
InChIKey: PESKGJQREUXSRR-UXIWKSIVSA-N
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2

화학적 성질

white fine crystalline powder or needles

안전 및 규제

안전 데이터

wgk: 3
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsExtracellular

응용 분야

용도It is employed as a intermediate for organic synthesis.

상·하류 제품 정보

상류 원료

메틸5α-콜레스탄-3β-일에테르 NSC23921 Cholest-1-en-3-one, (5α)-스피로[1,3-디옥솔란-2,3'-[5α]콜레스테인]5-CHOLESTEN-3-ONE 5베타-콜레스탄-3-원 4-콜레스텐-3-원

하류 제품

다이하이드로콜레스테롤 (5α)-25-Hydroxycholestan-3-one

공급사43 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

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

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