Ixocarpanolide

Properties Image MNX_ID MNXM126999 reference chebi:175701 formula C28H40O6 global charge 0 mol weight 472.622 InChIKey MLMDWCVFKUVZGH-UHFFFAOYSA-N InChI InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3 SMILES CC1CC(C(C)(O)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)OC(=O)C1C MNX internals InChI (mnx) InChI=1/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14?,15?,16?,17?,18?,20?,21?,22?,23?,25?,26?,27?,28? SMILES (mnx) [CH3:1][CH:14]1[CH2:13][CH:20]([C:27]([CH3:5])([CH:18]2[CH2:9][CH2:8][CH:16]3[CH:21]4[CH:17]([CH2:10][CH2:12][C:25]32[CH3:3])[C:26]2([CH3:4])[C:19](=[O:29])[CH:7]=[CH:6][CH2:11][C:28]2([OH:32])[CH:23]2[CH:22]4[O:34]2)[OH:31])[O:33][C:24](=[O:30])[CH:15]1[CH3:2]

Parent-child relations graph

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