代谢物 - 小分子和化合物库

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己烯雌酚
- ≥99%
CAS号: 56-53-1 EC号: 200-278-5

分子式: C₁₈H₂₀O₂ 分子量: 268.35

IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N

InChI: 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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雌三醇
CAS号: 50-27-1 EC号: 200-022-2

分子式: C₁₈H₂₄O₃ 分子量: 288.38

IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

InChIKey: PROQIPRRNZUXQM-ZXXIGWHRSA-N

InChI: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
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雌酮
CAS号: 53-16-7 EC号: 200-164-5

分子式: C₁₈H₂₂O₂ 分子量: 270.37

IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

InChIKey: DNXHEGUUPJUMQT-CBZIJGRNSA-N

InChI: 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
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炔雌醇
- ≥98%
CAS号: 57-63-6 EC号: 200-342-2

分子式: C₂₀H₂₄O₂ 分子量: 296.4

IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N

InChI: 1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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