tubocapsanolide F

Properties Image MNX_ID MNXM113775 reference chebi:66328 formula C28H38O6 global charge 0 mol weight 470.606 InChIKey FBVUDUMNPFUQRB-PCLPIYRRSA-N InChI InChI=1S/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1 SMILES CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 MNX internals InChI (mnx) InChI=1/C28H38O6/c1-14-12-20(33-24(31)15(14)2)16(3)27(32)11-9-18-17-13-23-28(34-23)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30,32H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23-,25+,26+,27+,28-/m1/s1 SMILES (mnx) [CH3:1][C:14]1=[C:15]([CH3:2])[C:24](=[O:31])[O:33][C@@H:20]([C@@H:16]([CH3:3])[C@@:27]2([OH:32])[CH2:11][CH2:9][C@H:18]3[C@@H:17]4[CH2:13][C@@H:23]5[C@@:28]6([C@@H:22]([OH:30])[CH:7]=[CH:6][C:21](=[O:29])[C@:26]6([CH3:5])[C@H:19]4[CH2:8][CH2:10][C@@:25]32[CH3:4])[O:34]5)[CH2:12]1

Parent-child relations graph

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