기본 정보
- CAS
38539-99-0- 표준 SMILES
CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)CC(=CO)C1=O- InChIKey
TTXFXDNREBBNTM-UCLRZGAKSA-N- 분자식
- C22H32O3
- 평균 분자량
- 344.5 g/mol
- 단동위원소 질량
- 344.23514488
이름 및 식별자
- 우선 이름
- 4,17alpha-Dimethyl-2-hydroxymethylene Testosterone
- IUPAC
- (8R,9S,10R,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-4,10,13,17-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- 영어명
- 17beta-hydroxy-2-(hydroxymethylene)-4,17-dimethylandrost-4-en-3-one
- 분자식
- C22H32O3
- 분자량
- 344.49
이름 및 동의어
38539-99-04,17alpha-Dimethyl-2-hydroxymethylene Testosterone(8R,9S,10R,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-4,10,13,17-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-oneSCHEMBL11523569DTXSID80959406TTXFXDNREBBNTM-UCLRZGAKSA-NAKOS030242038CID 57349609DB-222504NS0005809717-Hydroxy-2-(hydroxymethylidene)-4,17-dimethylandrost-4-en-3-one17beta-Hydroxy-2-hydroxymethylene-4,17-dimethylandrost-4-en-3-one
이름 더 보기
4,17α-DiMethyl-2-hydroxyMethylene Testosterone4,17α-Dimethyl-2-hydroxymethylene testosterone, CAS 38539-99-017β-hydroxy-2-(hydroxymethylene)-4,17-dimethylandrost-4-en-3-one17β-Hydroxy-2-(hydroxymethylene)-4,17-dimethylandrost-4-en-3-one17beta-hydroxy-2-(hydroxymethylene)-4,17-dimethylandrost-4-en-3-one(17β)-17-Hydroxy-2-(hydroxyMethylene)-4,17-diMethyl-androst-4-en-3-oneAndrost-4-en-3-one, 17-hydroxy-2-(hydroxymethylene)-4,17-dimethyl-, (17β)- (9CI)
(17Beta)-17-hydroxy-2-(hydroxymethylene)-4,17-dimethylandrost-4-en-3-one17beta-Hydroxy-2-(hydroxymethylidene)-4,17alpha-dimethylandrost-4-en-3-one
데이터베이스 식별자
- CAS
38539-99-0- PubChem CID
- 57349609
- DTXSID
DTXSID80959406- EC Number
- 253-991-9
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 689
물리화학적 성질
- 끓는 점
- 490.6 · 490.6±45.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 5.14 · 5.14±0.70(Predicted)
- 색상
- 노란색
화학적 성질
Yellow Solid
화학 및 산업
응용 분야
용도Testosterone (T155000) derivative. Intermediate in the preparation of Epostane (E588850).
상·하류 제품 정보
상류 원료
공급사8 곳
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