4alpha-formyl,4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol

Properties Image MNX_ID MNXM10251 reference seedM:cpd23639 formula C30H48O2 global charge 0 mol weight 440.712 InChIKey HPCOTHKWIJPKNI-XWLPYIGKSA-N InChI InChI=1S/C30H48O2/c1-20(2)8-7-9-21(3)22-12-14-28(6)24-11-10-23-26(4,19-31)25(32)13-15-29(23)18-30(24,29)17-16-27(22,28)5/h8,19,21-25,32H,7,9-18H2,1-6H3/t21-,22-,23+,24+,25+,26+,27-,28+,29?,30?/m1/s1 SMILES CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC[C@H](O)[C@@]4(C)C=O)CC35CC[C@]12C MNX internals InChI (mnx) InChI=1/C30H48O2/c1-20(2)8-7-9-21(3)22-12-14-28(6)24-11-10-23-26(4,19-31)25(32)13-15-29(23)18-30(24,29)17-16-27(22,28)5/h8,19,21-25,32H,7,9-18H2,1-6H3/t21-,22-,23+,24+,25+,26+,27-,28+,29?,30?/m1/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:8][CH2:7][CH2:9][C@@H:21]([CH3:3])[C@H:22]1[CH2:12][CH2:14][C@@:28]2([CH3:6])[C@@H:24]3[CH2:11][CH2:10][C@H:23]4[C@:26]([CH3:4])([CH:19]=[O:31])[C@@H:25]([OH:32])[CH2:13][CH2:15][C:29]45[CH2:18][C:30]35[CH2:17][CH2:16][C@:27]12[CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0