13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol

HCID 111300
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기본 정보

CAS
7443-72-3
표준 SMILES
CC[C@]12CCC3=C(CCc4cc(OC)ccc43)[C@@H]1CC[C@@H]2O
InChIKey
VOVSXUVLXBTVLM-UFYCRDLUSA-N
분자식
C20H26O2
평균 분자량
298.4 g/mol
단동위원소 질량
298.19328007

이름 및 식별자

우선 이름
13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol
IUPAC
(13S,14S,17S)-13-ethyl-3-methoxy-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
영어명
13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol
분자식
C20H26O2
분자량
298.43

이름 및 동의어

7443-72-313-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol(13S,14S,17S)-13-ethyl-3-methoxy-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol(17beta)-13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-olEINECS 231-188-4(17?)-13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-olVOVSXUVLXBTVLM-UFYCRDLUSA-NLevonorgestrel Impurity N1SCHEMBL8053086DTXSID901210372Gona-1,3,5(10),8-tetraen-17-ol, 13-ethyl-3-methoxy-, (17b)-AKOS016008795
이름 더 보기
na-1,3,5(10)13-Ethyl-3-methoxy8-tetraen-17beta-ol13-Ethyl-3-methoxygona-1,3,5(10),8-tetren-17β-ol13-ethyl-3-methoxygona-1,3,5(10),8-tetraen-17β-ol3-Methoxy-18-methyl-1,3,5(10),8-estratetraen-17b-ol(17)-13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-ol(17β)-13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-ol13-ethyl-3-methoxygona-1,3,5(10),8(9)-tetraterpene-17β-ol
NS000468683-methoxy-18-methyl-1,3,5(10),8-estratetraen-17beta-ol13beta-ethyl-3-methoxy-gona-1,3,5(10),8-tetraen-17beta-ol13beta-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol(17|A)-13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-ol(17I(2))-13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-ol13beta-ethyl-3-methoxy-gona-1,3,5(10), 8-tetraen-17beta-ol(1S,3aS,11aS)-11a-Ethyl-7-methoxy-2,3,3a,4,5,10,11,11a-octahydro-1H-cyclopenta[a]phenanthren-1-ol

데이터베이스 식별자

CAS
7443-72-3
PubChem CID
111300
DTXSID
DTXSID901210372
EC Number
231-188-4
Nikkaji
J278.847K

물성

구조 계산 물성

XLogP
3.4
극성 표면적
29.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
22

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
102 · 102-105 °C(Solv: acetonitrile (75-05-8))
끓는 점
450.3 · 450.3±45.0 °C(Predicted)
밀도
1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
15.01 · 15.01±0.40(Predicted)

화학 및 산업

응용 분야

용도(17β)-13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-ol is a reactant in the synthesis of new immunogens for levonorgestrel and its 3-syn and anti-oximes.

상·하류 제품 정보

공급사27 곳

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海亚毓生物医药有限公司021-54370211 18051886391 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340

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