Hydroxyprogesterone caproate(630-56-8) MS
Product NameHydroxyprogesterone caproate
CAS630-56-8
Molecular FormulaC27H40O4
Molecular Weight428.6
InChIInChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKey DOMWKUIIPQCAJU-LJHIYBGHSA-N
SmilesC1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2
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MassMS-IW-8086 3,20-dioxo-4-pregnen-17-yl hexanoate C27H40O4 (Mass of molecular ion: 428)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 2.1 29.0 1.4 41.0 3.2 43.0 18.0 55.0 4.8 60.0 2.0 67.0 1.9 69.0 1.1 71.0 14.0 73.0 1.0 77.0 1.8 79.0 2.8 81.0 1.9 83.0 1.1 91.0 3.7 93.0 3.1 95.0 2.6 97.0 7.9 98.0 1.3 99.0 43.3 100.0 2.9 105.0 3.1 107.0 2.9 109.0 5.0 117.0 1.3 119.0 2.2 121.0 2.6 122.0 1.4 123.0 2.8 124.0 3.1 129.0 1.1 131.0 1.8 133.0 2.3 135.0 1.6 136.0 1.4 137.0 1.0 143.0 1.4 145.0 4.0 146.0 1.0 147.0 3.2 148.0 1.3 149.0 1.5 157.0 1.1 159.0 1.7 161.0 1.6 171.0 1.9 173.0 2.5 174.0 1.1 175.0 1.6 187.0 1.1 189.0 1.5 211.0 1.4 227.0 1.6 229.0 4.2 242.0 1.2 244.0 3.0 251.0 1.7 269.0 26.6 270.0 6.5 271.0 2.1 287.0 100.0 288.0 20.9 289.0 2.5 294.0 1.6 297.0 1.6 312.0 10.5 313.0 4.9 314.0 1.2 330.0 11.1 331.0 2.6 385.0 12.5 386.0 3.4 429.0 1.3
KBr disc
nujol mull
