기본 정보
- CAS
23930-29-2- 표준 SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C- InChIKey
NFVCQZNBRFPYOP-DAVHWALQSA-N- 분자식
- C21H34O3
- 평균 분자량
- 334.5 g/mol
- 단동위원소 질량
- 334.25079494
개요
5alpha-pregnan-3alpha,11beta-diol-20-one is a C21-steroid that is 5alpha-pregnane substituted by an alpha-hydroxy group at position 3, a beta-hydroxy group at position 11 and an oxo group at position 20. It is a metabolite of progesterone. It is an 11beta-hydroxy steroid, a 3alpha-hydroxy steroid, a 20-oxo steroid and a C21-steroid. It derives from a hydride of a 5alpha-pregnane.
이름 및 식별자
- 우선 이름
- (3alpha,5alpha,11beta)-3,11-Dihydroxypregnan-20-one
- IUPAC
- 1-[(3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- 현지명
- 3α,11β-디히드록시-5α-프레난-20-온
- 영어명
- 3α,11β-Dihydroxy-5α-pregnan-20-one
- 분자식
- C21H34O3
- 분자량
- 334.49
이름 및 동의어
23930-29-2RefChem:207828(3alpha,5alpha,11beta)-3,11-Dihydroxypregnan-20-one3alpha,11beta-Dihydroxy-5alpha-pregnan-20-one3,11-Dihydroxypregnan-20-one #3,11diOH-DHP4CHEMBL2322582SCHEMBL114404825.alpha.-Pregnan-20-one, 3.alpha.,11.beta.-dihydroxy-CHEBI:233592NFVCQZNBRFPYOP-DAVHWALQSA-NDTXSID301275594
이름 더 보기
3α,11β-디히드록시-5α-프레난-20-온-pregnan-20-one-Dihydroxy-5α3α,11β-Dihydroxy-5α-pregnan-20-one
Pregnan-20-one, 3,11-dihydroxy-, (3.alpha.,5.alpha.,11.beta.)-3a,11b-di-hydroxy-5a-pregnan-20-one1-[(3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone5alpha-pregnan-3alpha,11beta-diol-20-one3alpha,11-Dihydroxy-5alpha-pregnan-20-one(3I+/-,5I+/-,11I(2))-3,11-Dihydroxypregnan-20-one
데이터베이스 식별자
- CAS
23930-29-2
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 531
화학 및 산업
응용 분야
용도3α,11β-Dihydroxy-5α-pregnan-20-one is a metabolite of progesterone (P755900). Progesterone is a cholesterol derived hormone which is critical for pregnancy. Progesterone is an immunomodulatory female sex steroid.
공급사2 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…