25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylbut-1-enyl)moxidectin
기본 정보
- CAS
114041-23-5- 표준 SMILES
CC/C=C(\C)[C@H]1O[C@]2(C/C(=N\OC)[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2- InChIKey
NGXRVNUJBHWBFI-UTKJVURASA-N- 분자식
- C36H51NO8
- 평균 분자량
- 625.8 g/mol
- 단동위원소 질량
- 625.36146759
이름 및 식별자
- 우선 이름
- 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylbut-1-enyl)moxidectin
- IUPAC
- (1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-pent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
- 영어명
- Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-23-(methoxyimino)-25-(1-methyl-1-butenyl)-, [6R,23E,25S(E)]- (9CI)
- 분자식
- C36H51NO8
- 분자량
- 625.8
이름 및 동의어
Moxidectin EP Impurity C114041-23-5UNII-BDT78DF9MJBDT78DF9MJMoxidectin specified impurity C25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylbut-1-enyl)moxidectinMilbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-23-(methoxyimino)-25-(1-methyl-1-butenyl)-, (6R,23E,25S(E))-Moxidectin for veterinary use specified impurity C [EP]25-des[(1E)-1,3-dimethylbut-1-enyl]-25-[(1E)-1methylbut-1-enyl]moxidectinMOXIDECTIN IMPURITY CQ27274611MOXIDECTIN FOR VETERINARY USE IMPURITY C [EP IMPURITY]
이름 더 보기
Moxicillin EP impurity CMoxidectin Impurity 3(Moxidectin EP Impurity C)25-des[(1E)-1,3-Dimethylbut-1-enyl]-25-[(1E)-1-methylbut-1-enyl]moxidectinMilbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-23-(methoxyimino)-25-(1-methyl-1-butenyl)-, [6R,23E,25S(E)]- (9CI)
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,310
물리화학적 성질
- 끓는 점
- 786.8 · 786.8±70.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.19 · 12.19±0.70(Predicted)
- InChIKey
- NGXRVNUJBHWBFI-UTKJVURASA-N
- SMILES
- C(C1C(/C(=N\OC)/CC2(OC3CC=C(CC(C=CC=C4COC5C(O)C(C)=CC(C54O)C(=O)OC(C3)C2)C)C)O1)C)(C)=CCC |c:18,t:12,16|
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