23-hydroxytubocapsanolide A

Properties Image MNX_ID MNXM101695 reference chebi:66327 formula C28H36O7 global charge 0 mol weight 484.589 InChIKey ZTDAKBMARSMGBP-FVMAOMGMSA-N InChI InChI=1S/C28H36O7/c1-12-13(2)24(32)33-23(22(12)31)14(3)27-21(34-27)11-17-15-10-20-28(35-20)19(30)7-6-18(29)26(28,5)16(15)8-9-25(17,27)4/h6-7,14-17,19-23,30-31H,8-11H2,1-5H3/t14-,15-,16+,17+,19+,20-,21-,22+,23+,25+,26+,27-,28-/m1/s1 SMILES CC1=C(C)[C@H](O)[C@H]([C@@H](C)[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)OC1=O MNX internals InChI (mnx) InChI=1/C28H36O7/c1-12-13(2)24(32)33-23(22(12)31)14(3)27-21(34-27)11-17-15-10-20-28(35-20)19(30)7-6-18(29)26(28,5)16(15)8-9-25(17,27)4/h6-7,14-17,19-23,30-31H,8-11H2,1-5H3/t14-,15-,16+,17+,19+,20-,21-,22+,23+,25+,26+,27-,28-/m1/s1 SMILES (mnx) [CH3:1][C:12]1=[C:13]([CH3:2])[C:24](=[O:32])[O:33][C@@H:23]([C@@H:14]([CH3:3])[C@@:27]23[C@@H:21]([CH2:11][C@H:17]4[C@@H:15]5[CH2:10][C@@H:20]6[C@@:28]7([C@@H:19]([OH:30])[CH:7]=[CH:6][C:18](=[O:29])[C@:26]7([CH3:5])[C@H:16]5[CH2:8][CH2:9][C@@:25]42[CH3:4])[O:35]6)[O:34]3)[C@H:22]1[OH:31]

Parent-child relations graph

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