기본 정보
- CAS
57331-56-3- 표준 SMILES
C=C(C)CO[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl- InChIKey
HNVJCMRHHGMCQR-RBWIMXSLSA-N- 분자식
- C25H32ClFO5
- 평균 분자량
- 467 g/mol
이름 및 식별자
- 우선 이름
- 21-Chloro-9-fluoro-11beta,17-dihydroxy-16alpha-((2-methyl-2-propenyl)oxy)pregna-1,4,diene-3,20-dione
- IUPAC
- (8S,9R,10S,11S,13S,14S,16R,17S)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-(2-methylprop-2-enoxy)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
이름 및 동의어
UNII-K013QIU9IHK013QIU9IH21-Chloro-9-fluoro-11beta,17-dihydroxy-16alpha-((2-methyl-2-propenyl)oxy)pregna-1,4,diene-3,20-dione57331-56-3Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11,17-dihydroxy-16-((2-methyl-2-propenyl)oxy)-, (11beta,16alpha)-SCHEMBL11778028HNVJCMRHHGMCQR-RBWIMXSLSA-NQ2728175321-CHLORO-9-FLUORO-11.BETA.,17-DIHYDROXY-16.ALPHA.-((2-METHYL-2-PROPENYL)OXY)PREGNA-1,4,DIENE-3,20-DIONE21-chloro-9-fluoro-11beta,17 -dihydroxy-16alpha-[(2-methyl-2-propenyl)oxy]pregna-1,4-diene-3,20-dione21-chloro-9-fluoro-11beta,17-dihydroxy-16alpha-[ (2-methyl-2-propenyl)oxy]pregna-1,4-diene-3,20-dionePREGNA-1,4-DIENE-3,20-DIONE, 21-CHLORO-9-FLUORO-11,17-DIHYDROXY-16-((2-METHYL-2-PROPENYL)OXY)-, (11.BETA.,16.ALPHA.)-
데이터베이스 식별자
- CAS
57331-56-3- PubChem CID
- 86733739
- UNII
- K013QIU9IH
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 83.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 929
관련 반응
2건
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