기본 정보
- CAS
1253-43-6- 표준 SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O- InChIKey
JOVLCJDINAUYJW-VWUMJDOOSA-N- 분자식
- C21H30O8S
- 평균 분자량
- 442.5 g/mol
- 단동위원소 질량
- 442.16613908
개요
Cortisol 21-sulfate is a steroid sulfate obtained by the formal condensation of hydroxy group at position 21 of cortisol with sulfuric acid. It has a role as a human metabolite. It is a tertiary alpha-hydroxy ketone, a steroid sulfate, a cortisol ester, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid. It is a conjugate acid of a cortisol 21-sulfate(1-).
이름 및 식별자
- 우선 이름
- Cortisol sulfate
- IUPAC
- [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
- 현지명
- 코티솔21-설페이트
- 영어명
- cortisol 21-sulfate
- 분자식
- C21H30O8S
- 분자량
- 442.53
이름 및 동의어
Cortisol 21-sulfateCortisol sulfate1253-43-6Cortisol-21-sulfateF(K)S Cpd11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulfateSS441 Compound(11beta)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dioneCHEBI:1647311beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate4-Pregnen-11,17,21-triol-3,20-dione 21-sulfateRefChem:128090
이름 더 보기
코티솔21-설페이트Cortisol 21-(Hydrogen Sulfate)11β,17α-Dihydroxypregn-4-ene-3,20Hydrocortisone 21-sulfate potassium salt11β,17-Dihydroxy-3,20-diketopregn-4-ene-21-yl Sulfate11β,17α-Dihydroxy-3,20-diketopregn-4-ene-21-yl Sulfate(11β)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, (11β)-
(11 beta)-11,17-dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl hydrogen sulfateCortisol 21-sulphateCortisol-21-sulphateCortisol 21-sulfuric acidCortisol-21-sulfuric acidCortisol 21-sulphuric acid
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 904
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Sulfates [ST0502]
물리화학적 성질
- 밀도
- 1.444 · 1.444±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -4.038 · -4.038±0.18(predicted)
화학 및 산업
응용 분야
용도Cortisol 21-Sulfate is a phase II metabolite of Cortisol (H714615).
공급사9 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
추가 설명
정의ChEBI: A steroid sulfate obtained by the formal condensation of hydroxy group at position 21 of cortisol with sulfuric acid.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…