1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one, (1R,3aR,7aR)-

HCID 10587733CAS 66251-18-1

기본 정보

표준 SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C
InChIKey: ATMUYWZMPLKPEJ-XLMAVXFVSA-N
분자식: C18H32O
평균 분자량: 264.4 g/mol

이름 및 식별자

우선 이름: 1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one, (1R,3aR,7aR)-
IUPAC: (1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
영어명: (1R,3aR,7aR)-7a-Methyl-1-((R)-6-Methylheptan-2-yl)hexahydro-1H-inden-4(2H)-one
분자식: C18H32O
분자량: 264.45

이름 및 동의어

Grundmann's ketone66251-18-1Grundmann's ketone [MI]Grundmann's ketone, (+)-(1R,3aR,7aR)-1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-oneUNII-DR7NU6538EDR7NU6538E1-((1R)-1,5-Dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one, (1R,3aR,7aR)-4H-Inden-4-one, 1-((1R)-1,5-dimethylhexyl)octahydro-7a-methyl-, (1R,3aR,7aR)-(1R,3aR,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-oneRefChem:196875(1R,3aR,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2H)-one

이름 더 보기

Grundmann’Grundmann's KetoneIntermediate of Edicalcitriol(1R,3aR,7aR)-7a-methyl-1-((R)-6-Methylheptan-2-yl)octahydro-4H-inden-4-one4H-Inden-4-one,1-[(1R)-1,5-dimethylhexyl]- octahydro-7a-methyl-,(1R,3aR,7aR)-

(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-oneEldecalcitol Impurity 60CHEMBL2063142SCHEMBL13622370ATMUYWZMPLKPEJ-XLMAVXFVSA-NMFCD20266788AC-37899SY268982

데이터베이스 식별자

CAS: 66251-18-1
PubChem CID: 10587733
ChEMBL: CHEMBL2063142
UNII: DR7NU6538E
Nikkaji: J501.468I

물성

구조 계산 물성

XLogP: 5.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 320

물리화학적 성질

끓는 점: 0.001 · bp0.001 115-120°
밀도: 0.921 · 0.921±0.06 g/cm3(Predicted)
용해도: 디클로로메탄 또는 에틸 아세테이트에 용해됨
물리적 상태: 기름
색상: 투명한

화학 및 산업

응용 분야

용도Intermediate in the synthesis of vitamin D active compounds.

상·하류 제품 정보

하류 제품

(1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one (3beta,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol

공급사28 곳

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

湖南瑞威尔生物科技有限公司15608648206 13297919155 · [email protected]

江西瑞威尔生物科技有限公司18502728206 · [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]

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