기본 정보
- CAS
71507-77-2- 표준 SMILES
C[C@]12CCC(=O)C(CSc3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
ZTHICPNHMULZDY-AYEIPMSGSA-N- 분자식
- C27H36O2S
- 평균 분자량
- 424.6 g/mol
- 단동위원소 질량
- 424.24360156
이름 및 식별자
- 우선 이름
- 17a-Methyl-4-[(phenylthio)methyl]testosterone
- IUPAC
- (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-4-(phenylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- 영어명
- 17beta-hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-ene-3-one
- 분자식
- C27H36O2S
- 분자량
- 424.64
이름 및 동의어
17a-Methyl-4-[(phenylthio)methyl]testosteroneSCHEMBL11522842FM25693DB-222501NS0006139417alpha-Methyl-4-[(phenylthio)methyl]testosterone(17b)-17-Hydroxy-17-methyl-4-[(phenylthio)methyl]-androst-4-en-3-one(17beta)-17-Hydroxy-17-methyl-4-[(phenylthio)methyl]-androst-4-en-3-one(17ss)-17-Hydroxy-17-methyl-4-[(phenylthio)methyl]-androst-4-en-3-one(17Beta)-17-hydroxy-17-methyl-4-[(phenylsulfanyl)methyl]androst-4-en-3-one(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-4-(phenylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one17α-Methyl-4-[(phenylthio)Methyl]testosterone
이름 더 보기
17α-Methyl-4-[(phenylthio)methyl]testosterone, CAS 71507-77-217beta-hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-ene-3-one(17S)-17-Hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-en-3-one(17β)-17-Hydroxy-17-Methyl-4-[(phenylthio)Methyl]-androst-4-en-3-oneAndrost-4-en-3-one, 17-hydroxy-17-methyl-4-[(phenylthio)methyl]-, (17β)- (9CI)
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 62.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 737
물리화학적 성질
- 용해도
- 클로로포름(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도Testosterone (T155000) derivative.
공급사5 곳
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