14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide

Properties Image MNX_ID MNXM101416 reference chebi:70603 formula C21H22O6 global charge 0 mol weight 370.401 InChIKey PHJXJLUAXVXKCQ-JLXOPUERSA-N InChI InChI=1S/C21H22O6/c1-6-11(2)19(22)26-10-14-15-12(3)8-7-9-13(15)17(25-5)18-16(14)21(4,24)20(23)27-18/h6-9,24H,10H2,1-5H3/b11-6-/t21-/m1/s1 SMILES C/C=C(/C)C(=O)OCC1=C2C(=C(OC)C3=C1C(C)=CC=C3)OC(=O)[C@]2(C)O MNX internals InChI (mnx) InChI=1/C21H22O6/c1-6-11(2)19(22)26-10-14-15-12(3)8-7-9-13(15)17(25-5)18-16(14)21(4,24)20(23)27-18/h6-9,24H,10H2,1-5H3/b11-6-/t21-/m1/s1 SMILES (mnx) [CH3:1]/[CH:6]=[C:11](/[CH3:2])[C:19](=[O:22])[O:26][CH2:10][C:14]1=[C:16]2[C:18](=[C:17]([O:25][CH3:5])[C:13]3=[CH:9][CH:7]=[CH:8][C:12]([CH3:3])=[C:15]31)[O:27][C:20](=[O:23])[C@:21]2([CH3:4])[OH:24]

Parent-child relations graph

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