기본 정보
- CAS
603-98-5- 표준 SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C- InChIKey
LCZBQMKVFQNSJR-CZUPSRJTSA-N- 분자식
- C21H30O4
- 평균 분자량
- 346.5 g/mol
- 단동위원소 질량
- 346.21440943
이름 및 식별자
- 우선 이름
- (8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- IUPAC
- (8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- 영어명
- Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-
- 분자식
- C21H30O4
- 분자량
- 346.46
이름 및 동의어
603-98-5(8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one(11alpha)-11,17-Dihydroxypregn-4-ene-3,20-dionePregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-21-Dehydrohydrocortisone(11?)-11,17-Dihydroxypregn-4-ene-3,20-dioneSCHEMBL139280(11|A)-11,17-Dihydroxypregn-4-ene-3,20-dione11b,17a-Dihydroxyprogesterone11b,17-dihydroxy-ProgesteroneNSC9730NSC-9730
이름 더 보기
Benodanil Impurity 3Progesterone Impurity 4811α,17α-Dihydroxyprogesterone11a,17a-Dihydroxyprogesterone4-PREGNEN-11α, 17α-DIOL-3-ONE11α,17α-Dihydroxy-4-prenene-3,20-dione11α,17α-Dihydroxy-4-pregnene-3,20-dione11a,17a-Dihydroxy-4-pregnene-3,20-dione(11α)-11,17-Dihydroxypregn-4-ene-3,20-dione
NSC48979NSC-4897911alpha,17alpha-dihydroxyprogesteronePregn-4-ene-11b,17a-diol-3,20-dione11b,17-dihydroxy-Pregn-4-ene-3,20-dione11b,17a-Dihydroxypregn-4-ene-3,20-dioneI82211
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 667
실험 및 물리화학적 성질
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 216 · 216-218 °C
- 끓는 점
- 523.9 · 523.9±50.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.86 · 12.86±0.70(Predicted)
- InChI
- InChI=1/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-/s3
- InChIKey
- LCZBQMKVFQNSJR-MXBJKANSNA-N
- SMILES
- C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@H]1O)(C)[C@@](O)(C(=O)C)CC3)CC2 |&1:4,8,10,12,14,16,19,r|
화학 및 산업
약리 정보
Tissue LocationsAdrenal Gland
Cellular LocationsExtracellular
Metabolite Pathways11-beta-hydroxylase deficiency (CYP11B1)
응용 분야
용도(11α)-11,17-Dihydroxypregn-4-ene-3,20-dione is a dihydroxyl product of progesterone by three species of the genus Humicola;Also, it is derived from 11α-Hydroxy Progesterone (H952335), which is a Progesterone (P755900) metabolite.
공급사77 곳
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
湖北研科时代科技有限公司15780669880 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
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