(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol-17-al

Properties Image MNX_ID MNXM101081 reference chebi:69396 formula C20H30O3 global charge 0 mol weight 318.457 InChIKey DJMWXXLWWILMGF-HBWRTXEVSA-N InChI InChI=1S/C20H30O3/c1-5-13-7-8-15-18(14(13)12-21)23-17(22)11-16-19(2,3)9-6-10-20(15,16)4/h5,12,15-18,22H,1,6-11H2,2-4H3/t15-,16-,17+,18-,20+/m0/s1 SMILES C=CC1=C(C=O)[C@@H]2O[C@@H](O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 MNX internals InChI (mnx) InChI=1/C20H30O3/c1-5-13-7-8-15-18(14(13)12-21)23-17(22)11-16-19(2,3)9-6-10-20(15,16)4/h5,12,15-18,22H,1,6-11H2,2-4H3/t15-,16-,17+,18-,20+/m0/s1 SMILES (mnx) [CH2:1]=[CH:5][C:13]1=[C:14]([CH:12]=[O:21])[C@H:18]2[C@H:15]([CH2:8][CH2:7]1)[C@@:20]1([CH3:4])[CH2:10][CH2:6][CH2:9][C:19]([CH3:2])([CH3:3])[C@@H:16]1[CH2:11][C@H:17]([OH:22])[O:23]2

Parent-child relations graph

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