14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol

Properties Image MNX_ID MNXM101418 reference chebi:70601 formula C20H24O7 global charge 0 mol weight 376.405 InChIKey MTYVORPSHXIKQD-GTNOQCDASA-N InChI InChI=1S/C20H24O7/c1-6-8(2)20(24)26-7-11-12-9(3)17-19(27-17)16(23)14(12)18(25-5)15(22)13(11)10(4)21/h6,9,16-17,19,22-23H,7H2,1-5H3/b8-6-/t9-,16+,17+,19-/m1/s1 SMILES C/C=C(/C)C(=O)OCC1=C(C(C)=O)C(O)=C(OC)C2=C1[C@@H](C)[C@@H]1O[C@@H]1[C@H]2O MNX internals InChI (mnx) InChI=1/C20H24O7/c1-6-8(2)20(24)26-7-11-12-9(3)17-19(27-17)16(23)14(12)18(25-5)15(22)13(11)10(4)21/h6,9,16-17,19,22-23H,7H2,1-5H3/b8-6-/t9-,16+,17+,19-/m1/s1 SMILES (mnx) [CH3:1]/[CH:6]=[C:8](/[CH3:2])[C:20](=[O:24])[O:26][CH2:7][C:11]1=[C:13]([C:10]([CH3:4])=[O:21])[C:15]([OH:22])=[C:18]([O:25][CH3:5])[C:14]2=[C:12]1[C@@H:9]([CH3:3])[C@H:17]1[C@@H:19]([C@H:16]2[OH:23])[O:27]1

Parent-child relations graph

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