3β-(Benzoyloxy)cholest-5-en-7β-ol(17974-80-0) MS
Product Name3β-(Benzoyloxy)cholest-5-en-7β-ol
CAS17974-80-0
Molecular FormulaC34H50O3
Molecular Weight506.759
InChIInChI=1/C34H50O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-31,35H,9-11,14-20H2,1-5H3/t23-,26+,27-,28+,29+,30+,31+,33+,34-/s3
InChIKey YAQOZGBTTMUPRW-DZRVCLDVNA-N
SmilesC(O[C@@H]1CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@](C)(CC1)[C@@H]([C@@H](CCCC(C)C)C)CC3)[C@@H](O)C=2)(=O)C1=CC=CC=C1 |&1:2,5,9,11,13,15,19,20,30,r|
-
MassMS-NW-6952 5-cholestene-3beta,7beta-diol 3-benzoate C34H50O3 (Mass of molecular ion: 506)
Source Temperature: 240 °C Sample Temperature: 210 °C Direct, 75 eV
27.0 3.5 29.0 7.1 39.0 3.3 41.0 16.6 42.0 2.0 43.0 27.8 50.0 3.6 51.0 7.2 52.0 1.3 53.0 2.9 55.0 16.6 56.0 2.2 57.0 14.6 65.0 2.1 66.0 1.1 67.0 10.8 68.0 1.6 69.0 10.9 70.0 1.2 71.0 7.0 74.0 1.5 76.0 1.4 77.0 23.4 78.0 3.6 79.0 11.2 80.0 2.1 81.0 20.2 82.0 2.5 83.0 6.7 85.0 1.4 91.0 13.5 92.0 2.7 93.0 13.9 94.0 5.8 95.0 15.3 96.0 1.9 97.0 4.0 103.0 1.3 104.0 1.3 105.0 41.6 106.0 5.9 107.0 12.7 108.0 10.6 109.0 10.7 110.0 1.6 111.0 2.7 115.0 3.1 116.0 1.5 117.0 6.4 118.0 4.1 119.0 9.4 120.0 3.5 121.0 8.6 122.0 14.0 123.0 4.4 124.0 1.0 127.0 1.0 128.0 4.3 129.0 6.0 130.0 2.4 131.0 7.3 132.0 2.4 133.0 7.1 134.0 5.0 135.0 12.5 136.0 5.0 137.0 5.2 141.0 6.4 142.0 4.6 143.0 11.6 144.0 5.0 145.0 11.6 146.0 4.0 147.0 7.7 148.0 3.5 149.0 5.5 150.0 1.5 151.0 1.5 153.0 1.1 155.0 3.5 156.0 1.9 157.0 7.4 158.0 8.2 159.0 9.7 160.0 3.9 161.0 14.4 162.0 3.4 163.0 4.4 164.0 1.0 165.0 1.9 167.0 1.6 169.0 2.3 170.0 1.1 171.0 3.3 172.0 1.6 173.0 3.9 174.0 13.9 175.0 4.9 176.0 3.1 177.0 2.0 178.0 1.1 179.0 1.3 181.0 1.6 183.0 2.8 184.0 1.1 185.0 2.6 187.0 4.9 188.0 1.2 189.0 2.5 191.0 1.4 193.0 2.2 195.0 2.0 196.0 1.0 197.0 3.9 198.0 2.1 199.0 4.3 200.0 1.3 201.0 1.9 205.0 1.1 206.0 2.1 207.0 1.4 209.0 1.0 211.0 4.1 212.0 2.0 213.0 3.3 214.0 1.4 215.0 1.9 216.0 1.1 217.0 1.3 219.0 1.6 225.0 1.2 226.0 1.3 227.0 2.2 228.0 1.5 229.0 3.6 230.0 2.5 231.0 1.6 233.0 1.0 237.0 1.4 239.0 1.8 241.0 1.0 243.0 1.2 244.0 1.4 245.0 1.3 246.0 1.2 247.0 8.2 248.0 2.1 251.0 1.4 253.0 9.1 254.0 2.4 255.0 3.0 256.0 1.1 257.0 1.1 259.0 1.1 260.0 1.7 269.0 3.1 270.0 1.0 271.0 1.8 275.0 2.5 288.0 1.0 330.0 1.2 348.0 1.4 349.0 1.0 350.0 2.2 351.0 5.7 352.0 2.5 353.0 2.4 364.0 2.1 365.0 1.3 366.0 23.1 367.0 8.7 368.0 9.8 369.0 4.4 370.0 1.2 382.0 11.3 383.0 5.4 384.0 100.0 385.0 30.3 386.0 5.2
KBr disc
nujol mull
