4alpha-formyl-stigmasta-7,24(24(1))-dien-3beta-ol

Properties Image MNX_ID MNXM10257 reference chebi:142929 formula C30H48O2 global charge 0 mol weight 440.712 InChIKey YTPAERFJSRKUSQ-BBJFWFDQSA-N InChI InChI=1S/C30H48O2/c1-7-21(19(2)3)9-8-20(4)24-12-13-25-22-10-11-26-23(18-31)28(32)15-17-30(26,6)27(22)14-16-29(24,25)5/h7,10,18-20,23-28,32H,8-9,11-17H2,1-6H3/b21-7-/t20-,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1 SMILES C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C30H48O2/c1-7-21(19(2)3)9-8-20(4)24-12-13-25-22-10-11-26-23(18-31)28(32)15-17-30(26,6)27(22)14-16-29(24,25)5/h7,10,18-20,23-28,32H,8-9,11-17H2,1-6H3/b21-7-/t20-,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1 SMILES (mnx) [CH3:1]/[CH:7]=[C:21](/[CH2:9][CH2:8][C@@H:20]([CH3:4])[C@H:24]1[CH2:12][CH2:13][C@H:25]2[C:22]3=[CH:10][CH2:11][C@H:26]4[C@H:23]([CH:18]=[O:31])[C@@H:28]([OH:32])[CH2:15][CH2:17][C@:30]4([CH3:6])[C@H:27]3[CH2:14][CH2:16][C@:29]12[CH3:5])[CH:19]([CH3:2])[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0