6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxy-29-nordammara-1,17(20)-dien-21-oic acid

Properties Image MNX_ID MNXM102128 reference chebi:65752 formula C33H46O9 global charge 0 mol weight 586.722 InChIKey WLRJWQXWJBEULT-GAZAAFLYSA-N InChI InChI=1S/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)/b25-20-/t17-,21+,23+,24+,26-,27+,31-,32+,33-/m1/s1 SMILES CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)C=CC(=O)[C@@H](C)[C@@H]4[C@H](OC(C)=O)C(=O)[C@@]32C)/C1=C(\CCCC(C)(C)O)C(=O)O MNX internals InChI (mnx) InChI=1/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)/b25-20-/t17-,21+,23+,24+,26-,27+,31-,32+,33-/m1/s1 SMILES (mnx) [CH3:1][C@@H:17]1[C:22](=[O:36])[CH:13]=[CH:15][C@:31]2([CH3:6])[C@@H:24]3[CH2:12][CH2:11][C@H:21]4/[C:25](=[C:20](\[CH2:10][CH2:9][CH2:14][C:30]([CH3:4])([CH3:5])[OH:40])[C:29](=[O:38])[OH:39])[C@@H:23]([O:41][C:18]([CH3:2])=[O:34])[CH2:16][C@:32]4([CH3:7])[C@@:33]3([CH3:8])[C:28](=[O:37])[C@@H:27]([O:42][C:19]([CH3:3])=[O:35])[C@@H:26]12

Parent-child relations graph

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