CAS 58-18-4|Virilon|Android|Testred |Methyltestosterone|(1S,2R,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one|dianabol|17-Methyltestoster|(8R,9S,...

基本信息

化学结构

分子式

C₂₀H₃₀O₂

分子量

302.451

精确质量

302.2245802

电荷

InChI

InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1

InChIKey

GCKMFJBGXUYNAG-HLXURNFRSA-N

Canonic Smiles

O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C

Isomeric Smiles

C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)C)C)C

计算属性

JChem

Acid pKa

19.086739

质子受体

质子供体

LogD (pH = 5.5)

3.6459997

LogD (pH = 7.4)

3.646

Log P

3.646

摩尔折射率

89.068

极化性

35.103523

极化表面积

37.3

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

17-MethyltestosterAndroidMethyltestosteroneVirilonTestred (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-oneMethyltestosteroneMesterone甲睾酮17α-Methyl-4-androsten-17β-ol-3-oneMethyl testosteronum17α-Methyltestosterone17α-甲基睾甾酮甲基睾甾酮17α-甲基-4-雄甾烯-17β-醇-3-酮17β-羟基-17α-甲基-4-雄甾烯-3-酮17β-Hydroxy-17α-methyl-4-androsten-3-one(1S,2R,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-oneTestora4-Androsten-17α-methyl-17β-ol-3-one17α-Methyl Testosterone17-Hydroxy-17-methyl-3-keto-androstene-4TestovironAndrosten17-MethyltestosteronU 2842NSC 139965DumogranMetrone

IUPAC传统名

dianabol methyltestosterone

IUPAC标准名

(1S,2R,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

名称和标识

数据登录号

EC号

200-366-3

CAS号

58-18-4

MDL号

MFCD00003655

PubChem SID

24870181248971472488590124885900162037700

Beilstein号

2057425