HCID56775

3-Methoxyestra-1(10),2,4-trien-17-ol

3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol

C19H26O2286.4 g/molCAS 94535-16-7

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IDENTITY

结构与身份

标准SMILES: COc1ccc2c(c1)CCC1C2CCC2(C)C(O)CCC12
InChIKey: ULAADVBNYHGIBP-UHFFFAOYSA-N
分子式: C19H26O2
平均分子量: 286.4 g/mol
单同位素质量: 286.19328007

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 29.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 21
形式电荷: 0
复杂度: 395

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

2648.1

ALIASES

名称与别名

共 20 条

DTXSID5091545894535-16-73-Methoxyestra-1(10),2,4-trien-17-olRefChem:1068144DTXCID108378443-Methoxyestra-1,3,5(10)-trien-17-olESTRADIOL METHYL ETHERMaybridge3_004346Oprea1_480901CHEMBL4753626SCHEMBL14499084ULAADVBNYHGIBP-UHFFFAOYSA-NHMS1443F12AKOS024319467CCG-248763IDI1_015733NS000406073-Methoxyestra-1(10),2,4-trien-17-ol #Estra-1,3,5(10)-trien-17-ol,3-methoxy- (7CI,9CI)17.beta.-Hydroxy-3-methoxy-estra-1,3,5(10)-triene (8.beta.,9.beta.,14.alpha.)

REACTIONS

参与反应

1 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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