HCID66432

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

(8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol

C20H28O2300.4 g/molCAS 3625-82-9

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IDENTITY

结构与身份

标准 SMILES: CC[C@]12CC[C@@H]3c4ccc(OC)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
InChIKey: CNPGMVAEOUQDBN-SLHNCBLASA-N
分子式: C20H28O2
平均分子量: 300.4 g/mol
单同位素质量: 300.20893013

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 29.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 22
形式电荷: 0
复杂度: 409

GHS

GHS 分类

来源：PubChem

GHS Classification

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Status: Active Update: 01-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17147

Hazard Classes and Categories

Not Classified

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 01-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17147

ALIASES

名称与别名

共 20 条

18-Methylestradiol-3-methyl ether3625-82-918-ME-3-MEDTXSID801036252Gona-1,3,5(10)-trien-17-ol, 13-ethyl-3-methoxy-, (17beta)-RefChem:392614(17beta)-13-Ethyl-3-methoxygona-1,3,5(10)-trien-17-olDTXCID701520462(8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol3-methoxy-18-methyl-1,3,5(10)-estratrien-17beta-ol3-Methoxy-18-methyl-1,3,5(10)-estratrien-17b-ol3-Methoxy-13beta-ethyl-1,3,5(10)-gonatrien-17beta-ol; 13-Ethyl-3-methoxygona-1,3,5(10)-trien-17beta-ol; (17beta)-13-Ethyl-3-methoxygona-1,3,5(10)-trien-17-ol848-01-1SCHEMBL5166260CNPGMVAEOUQDBN-SLHNCBLASA-NDB-24718813-ethyl-3-methoxygona-1,3,5(10)-trien-17beta-ol13-ethyl-3-methoxygona-1,3,5(10)-triene-17beta-ol13beta-ethyl-3-methoxy-gona-1,3,5(10)-trien-17beta-ol(+)-17beta-hydroxy-13beta-ethyl-3-methoxygona-1,3,5(10)-triene

REACTIONS