(17Beta)-13-Ethyl-3-methoxygona-2,5(10)-dien-17-ol

HCID 101950CAS 1038-28-4

기본 정보

표준 SMILES: CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2O)CC(OC)=CC4
InChIKey: DKGAZBPXLWEBPI-SLHNCBLASA-N
분자식: C20H30O2
평균 분자량: 302.5 g/mol

이름 및 식별자

우선 이름: (17Beta)-13-Ethyl-3-methoxygona-2,5(10)-dien-17-ol
IUPAC: (8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
영어명: (±)-13-ethyl-3-methoxygona-2,5(10)-dien-17beta-ol
분자식: C20H30O2
분자량: 302.45

이름 및 동의어

DTXSID901020313(17Beta)-13-Ethyl-3-methoxygona-2,5(10)-dien-17-olRefChem:392615DTXCID2015271201038-28-4Levonorgestrel EP Impurity Q(8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol13-Ethyl-3-methoxy-gona-2,5(10)-dien-17?-olEINECS 213-860-913-ethyl-3-methoxygona-2,5(10)-dien-17?-olSCHEMBL3444598DKGAZBPXLWEBPI-SLHNCBLASA-N

이름 더 보기

Levonorgestrel EP IMP QLevonorgestrel IMpurity QLevonorgestrel Impurity 3613-Ethyl-3-methoxygona-2,5(10)-dien-17β-ol(?-13-ethyl-3-methoxygona-2,5(10)-dien-17?-oldl-3-methoxy-13β-ethylgona-2,5(10)-dien-17β-ol(±)-13-ethyl-3-methoxygona-2,5(10)-dien-17beta-ol

DTXSID20103566813-ethyl-3-methoxygona-2,5(10)-diene-17beta-ol(1)-13-Ethyl-3-methoxygona-2,5(10)-dien-17beta-ol13beta-Ethyl-3-methoxy-gona-2,5(10)-dien-17beta-ol(+/-)-3-Methoxy-18-methylestra-2,5(10)-dien-17beta-ol(1S,3aS,3bR,9bS,11aS)-11a-Ethyl-7-methoxy-2,3,3a,3b,4,5,6,9,9b,10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthren-1-ol13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol

데이터베이스 식별자

CAS: 1038-28-4、14507-49-4
PubChem CID: 101950
DTXSID: DTXSID201035668
UNII: 8ERD33FFH7
EC Number: 213-860-9
Nikkaji: J241.273J

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 518

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 117 · 117-121 °C
끓는 점: 449.5 · 449.5±45.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
산도 계수 (pKa): 15.04 · 15.04±0.60(Predicted)
수용성: 6 mg/L · 6mg/L at 25℃
LogP: 6.21 at · 6.21 at 25℃

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 11-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16804

Hazard Classes and CategoriesAquatic Chronic 1 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H410

화학 및 산업

응용 분야

용도13-Ethyl-3-methoxygona-2,5(10)-dien-17β-ol is a steroid used in the total synthesis of (-)-norgestrel a progestin medication. Levonorgestrel impurity.