(+)-(5E,12E,2S,3S,4S,9S,11S,15R)-3-cinnamoyloxylathyra-5,12-dien-15-ol-14-one

Properties Image MNX_ID MNXM100721 reference chebi:67695 formula C29H36O4 global charge 0 mol weight 448.603 InChIKey NQXSTPNIDYJOBI-YUPKHPILSA-N InChI InChI=1S/C29H36O4/c1-18-11-13-22-23(28(22,4)5)16-19(2)27(31)29(32)17-20(3)26(24(29)15-18)33-25(30)14-12-21-9-7-6-8-10-21/h6-10,12,14-16,20,22-24,26,32H,11,13,17H2,1-5H3/b14-12+,18-15+,19-16+/t20-,22-,23+,24-,26-,29+/m0/s1 SMILES C/C1=C\[C@H]2[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C MNX internals InChI (mnx) InChI=1/C29H36O4/c1-18-11-13-22-23(28(22,4)5)16-19(2)27(31)29(32)17-20(3)26(24(29)15-18)33-25(30)14-12-21-9-7-6-8-10-21/h6-10,12,14-16,20,22-24,26,32H,11,13,17H2,1-5H3/b14-12+,18-15+,19-16+/t20-,22-,23+,24-,26-,29+/m0/s1 SMILES (mnx) [CH3:1]/[C:18]1=[CH:15]\[C@H:24]2[C@@H:26]([O:33][C:25](/[CH:14]=[CH:12]/[C:21]3=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]3)=[O:30])[C@@H:20]([CH3:3])[CH2:17][C@:29]2([OH:32])[C:27](=[O:31])/[C:19]([CH3:2])=[CH:16]/[C@@H:23]2[C@H:22]([CH2:13][CH2:11]1)[C:28]2([CH3:4])[CH3:5]

Parent-child relations graph

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