syn-Stemoden-19-oate

Properties Image MNX_ID MNXM21947 reference keggC:C20208 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey REZQHIIQALKSCD-WKSOIMLMSA-N InChI InChI=1S/C20H30O2/c1-13-7-10-20-12-14(13)11-15(20)5-6-16-18(2,17(21)22)8-4-9-19(16,20)3/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,16-,18-,19-,20+/m0/s1 SMILES C=C1CC[C@@]23C[C@@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CCC[C@]1(C)C(=O)O MNX internals InChI (mnx) InChI=1/C20H30O2/c1-13-7-10-20-12-14(13)11-15(20)5-6-16-18(2,17(21)22)8-4-9-19(16,20)3/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,16-,18-,19-,20+/m0/s1 SMILES (mnx) [CH2:1]=[C:13]1[CH2:7][CH2:10][C@@:20]23[CH2:12][C@@H:14]1[CH2:11][C@@H:15]2[CH2:5][CH2:6][C@H:16]1[C@@:18]([CH3:2])([C:17](=[O:21])[OH:22])[CH2:8][CH2:4][CH2:9][C@@:19]13[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0