(8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one

5alpha-Estran-3alpha-ol-17-one

HCID 9548753CAS 1225-01-0

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基本信息

标准SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@H]43)[C@@H]1CCC2=O
InChIKey
UOUIARGWRPHDBX-CQZDKXCPSA-N
分子式
C18H28O2
平均分子量
276.42 g/mol
单同位素质量
276.20893014

名称与标识

首选名称
5alpha-Estran-3alpha-ol-17-one
IUPAC
3alpha-Hydroxy-5alpha-estran-17-one
中文名
(8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one
英文名
(8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one
分子式
C18H28O2
分子量
276.41

名称与别名

罗库溴铵5519-去甲雄酮19-去甲甾酮甲醇中1 mg/ml的19-去甲基雄烯二酮5α-ESTRAN-3α-OL-17-ONEMeropenem Impurity 37-d6Rocuronium Bromide Impurity 5519-Norandrosterone (1 mg/ml in Methanol)19-Norandrosterone (1.0 mg/ml in Methanol)19-Norandrosterone in 1,2-dimethoxyethane (221.4 ng/g) (for WADA labs, only)(8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one(3R,5S,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one

数据库标识

CAS
1225-01-0
PubChem CID
9548753
DTXSID
DTXSID10893662
ChEMBL
CHEMBL3638321
ChEBI
CHEBI:36412
UNII
5W4XKU708V
EC Number
111-685-1
Nikkaji
J109.668K

性质

物理化学性质

熔点
160 · 160-161 °C(Solvent: Ethyl acetate; Chloroform)
沸点
412.874 · 412.874±45.00 °C(Press: 760.00 Torr)(predicted)
密度
1.093 · 1.093±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
溶解度
1 mg/ml; · Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
形态
A crystalline solid
酸度系数(pKa)
15.125 · 15.125±0.40(predicted)

化学与工业

供应商9 家

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]

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