20-hydroxytubocapsanolide A

Properties Image MNX_ID MNXM101680 reference chebi:66326 formula C28H36O7 global charge 0 mol weight 484.589 InChIKey ONOYEGAYNUISOH-QTRSZHGFSA-N InChI InChI=1S/C28H36O7/c1-13-10-20(33-23(31)14(13)2)26(5,32)28-22(35-28)12-17-15-11-21-27(34-21)19(30)7-6-18(29)25(27,4)16(15)8-9-24(17,28)3/h6-7,15-17,19-22,30,32H,8-12H2,1-5H3/t15-,16+,17+,19+,20-,21-,22-,24+,25+,26+,27-,28-/m1/s1 SMILES CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1 MNX internals InChI (mnx) InChI=1/C28H36O7/c1-13-10-20(33-23(31)14(13)2)26(5,32)28-22(35-28)12-17-15-11-21-27(34-21)19(30)7-6-18(29)25(27,4)16(15)8-9-24(17,28)3/h6-7,15-17,19-22,30,32H,8-12H2,1-5H3/t15-,16+,17+,19+,20-,21-,22-,24+,25+,26+,27-,28-/m1/s1 SMILES (mnx) [CH3:1][C:13]1=[C:14]([CH3:2])[C:23](=[O:31])[O:33][C@@H:20]([C@@:26]([CH3:5])([C@@:28]23[C@@H:22]([CH2:12][C@H:17]4[C@@H:15]5[CH2:11][C@@H:21]6[C@@:27]7([C@@H:19]([OH:30])[CH:7]=[CH:6][C:18](=[O:29])[C@:25]7([CH3:4])[C@H:16]5[CH2:8][CH2:9][C@@:24]42[CH3:3])[O:34]6)[O:35]3)[OH:32])[CH2:10]1

Parent-child relations graph

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