기본 정보
- 표준 SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
BFMZZSBHQOCQFQ-HTDHLNIYSA-N- 분자식
- C20H28O2
- 평균 분자량
- 300.4 g/mol
- 단동위원소 질량
- 300.20893014
개요
17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one is a 3-hydroxy steroid. It has a role as an androgen.
이름 및 식별자
- 우선 이름
- 17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one
- IUPAC
- (8S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
- 영어명
- 17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one
- 분자식
- C20H28O2
- 분자량
- 300.44
이름 및 동의어
1039-17-417beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one9-DehydromethyltestosteroneUNII-DL21KQ84H4DL21KQ84H4NSC-3356EINECS 213-864-0NSC 3356.DELTA.9-11-METHYLTESTOSTERONEAndrosta-4,9(11)-dien-3-one, 17-hydroxy-17-methyl-, (17.beta.)-U-526117.BETA.-HYDROXY-17-METHYLANDROST-4,9(11)-DIEN-3-ONE
이름 더 보기
-dien-3-one9(11)-dien-3-onemethyl testosteronumTamsulosin Impurity 36△9(11)-MethyltestosteroneΔ9(11)-Methyl Testosteroneδ9(11)-Methyltestosterone>DELTA9(11)-METHYLTESTOSTERONE9(11)-DEHYDROMETHYLTESTOSTERONE
17.BETA.-HYDROXY-17-METHYLANDROSTA-4,9(11)-DIEN-3-ONE17.ALPHA.-METHYL-4,9(11)-ANDROSTADIEN-17.BETA.-OL-3-ONEANDROSTA-4,9(11)-DIENE-17.ALPHA.-METHYL-17.BETA.-OL-3-ONEANDROSTA-4,9(11)-DIEN-3-ONE, 17-HYDROXY-17-METHYL-, (17.BETA.)-ANDROSTA-4,9(11)-DIEN-3-ONE, 17.BETA.-HYDROXY-17-METHYL-RefChem:79286DELTA9-11-METHYLTESTOSTERONE17ALPHA-METHYL-4,9(11)-ANDROSTADIEN-17BETA-OL-3-ONE17BETA-HYDROXY-17-METHYLANDROST-4,9(11)-DIEN-3-ONE
데이터베이스 식별자
- CAS
1039-17-4- PubChem CID
- 220507
- DTXSID
DTXSID60908659- ChEBI
CHEBI:34182- UNII
- DL21KQ84H4
- EC Number
- 213-864-0
- Nikkaji
- J208.705G
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 601
물리화학적 성질
- 녹는점
- 169 °C · 169 °C
- 끓는 점
- 448.3 · 448.3±45.0 °C(Predicted)
- 밀도
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.01 · 15.01±0.60(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사35 곳
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