代谢物 - 小分子和化合物库

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四氢11-脱氧皮质酮
CAS号: 567-03-3

分子式: C₂₁H₃₄O₃ 分子量: 334.49

IUPAC Name: 2-hydroxy-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O

InChIKey: CYKYBWRSLLXBOW-DATPGIFZSA-N

InChI: 1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1
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pregnenolone sulphate
CAS号: 1247-64-9 Compound CID : 105074

IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C

InChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-N

InChI: 1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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