Betamethasone(378-44-9) MS
Product NameBetamethasone
CAS378-44-9
Molecular FormulaC22H29FO5
Molecular Weight392.47
InChIInChI=1/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/s3
InChIKey UREBDLICKHMUKA-IVGDLNKNNA-N
SmilesF[C@]12[C@H](C[C@@]3([C@@](O)(C(=O)CO)[C@@H](C)C[C@@]3([H])[C@]1([H])CCC1=CC(=O)C=C[C@]21C)C)O |&1:1,2,4,5,11,14,16,26,r|
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MassMS-IW-4299 9alpha-fluoro-11beta,17,21-trihydroxy-16beta-methyl-1,4-pregnadiene-3,20-dione C22H29FO5 (Mass of molecular ion: 392)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 2.5 18.0 13.3 27.0 1.2 28.0 4.7 29.0 7.3 30.0 6.7 31.0 3.7 32.0 2.0 39.0 1.7 41.0 6.3 42.0 1.1 43.0 6.7 53.0 2.4 55.0 6.0 57.0 2.9 60.0 2.0 65.0 2.0 67.0 2.9 69.0 4.9 71.0 2.3 77.0 5.4 78.0 1.1 79.0 3.6 81.0 3.4 83.0 2.0 85.0 1.5 87.0 1.9 91.0 9.5 92.0 2.1 93.0 4.0 94.0 1.5 95.0 3.8 96.0 1.2 97.0 2.2 99.0 1.1 103.0 1.7 105.0 3.7 106.0 1.0 107.0 9.8 108.0 4.0 109.0 4.9 110.0 1.4 111.0 3.0 113.0 1.2 115.0 2.7 116.0 1.0 117.0 3.0 119.0 3.3 120.0 2.3 121.0 37.8 122.0 100.0 123.0 11.9 124.0 2.6 125.0 2.6 127.0 1.7 128.0 1.6 129.0 1.7 131.0 2.6 132.0 1.0 133.0 5.0 134.0 7.4 135.0 11.9 136.0 4.7 137.0 3.3 138.0 1.0 139.0 6.2 140.0 1.3 141.0 2.4 143.0 1.2 144.0 1.0 145.0 4.0 146.0 3.2 147.0 12.2 148.0 2.1 149.0 2.4 151.0 1.4 152.0 1.9 153.0 2.0 155.0 1.0 157.0 1.6 158.0 2.3 159.0 5.9 160.0 9.6 161.0 4.9 162.0 1.0 163.0 1.8 165.0 2.1 167.0 1.2 169.0 1.1 171.0 3.3 172.0 1.5 173.0 3.0 174.0 1.3 175.0 1.8 177.0 1.4 178.0 1.1 179.0 2.1 181.0 1.5 183.0 1.3 184.0 2.0 185.0 2.9 186.0 3.9 187.0 4.3 188.0 1.2 189.0 1.8 191.0 1.3 193.0 1.1 195.0 1.9 197.0 2.1 199.0 1.7 202.0 1.3 203.0 1.0 207.0 1.0 208.0 1.3 209.0 2.5 210.0 1.3 211.0 2.7 212.0 1.2 213.0 4.2 214.0 1.7 221.0 1.6 222.0 1.0 223.0 8.7 224.0 3.4 225.0 3.1 226.0 1.7 227.0 3.9 228.0 1.2 236.0 1.6 237.0 3.4 238.0 4.7 239.0 2.5 240.0 2.4 241.0 3.0 242.0 9.8 243.0 2.3 251.0 1.2 253.0 8.9 254.0 2.6 255.0 7.7 256.0 2.2 263.0 1.0 267.0 1.1 268.0 3.3 269.0 1.7 277.0 1.7 279.0 1.7 281.0 1.4 284.0 2.4 294.0 1.0 295.0 2.3 296.0 1.1 297.0 1.0 299.0 1.0 312.0 9.9 313.0 2.8 314.0 1.1 324.0 2.0 325.0 1.1 333.0 2.3 342.0 25.0 343.0 6.4 344.0 1.2 372.0 1.4
in DMSO-d6
KBr disc
nujol mull
TOKYO CHEMICAL INDUSTRY CO., LTD.
CHONGQING CHENCHENG PHARMACEUTICAL CO.，LTD.
Hubei XinRunde Chemical Co., Ltd.
Nanjing Finetech Chemical Co., Ltd.
Hefei TNJ Chemical Industry Co.,Ltd.
Shanxi Naipu Import and Export Co.,Ltd
Shaanxi Yikanglong Biotechnology Co., Ltd.