4,7-Didehydroneophysalin B

Properties Image MNX_ID MNXM117776 reference chebi:180854 formula C28H28O9 global charge 0 mol weight 508.523 InChIKey KUSIVZBQAMNZCO-UHFFFAOYSA-N InChI InChI=1S/C28H28O9/c1-23-11-18-25(3)28-20(23)27(22(32)37-28,34-12-16(23)19(30)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)21(31)36-25/h4-8,14-16,18,20,33H,9-12H2,1-3H3 SMILES CC12C(=O)C=CC=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16C(=O)OC23C56)C(=O)O4 MNX internals InChI (mnx) InChI=1/C28H28O9/c1-23-11-18-25(3)28-20(23)27(22(32)37-28,34-12-16(23)19(30)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)21(31)36-25/h4-8,14-16,18,20,33H,9-12H2,1-3H3/t14?,15?,16?,18?,20?,23?,24?,25?,26?,27?,28? SMILES (mnx) [CH3:1][C:23]12[CH2:11][CH:18]3[C:25]4([CH3:3])[C:28]56[CH:20]1[C:27]([CH:15]1[CH:8]=[CH:7][C:13]7=[CH:5][CH:4]=[CH:6][C:17](=[O:29])[C:24]7([CH3:2])[CH:14]1[CH2:9][CH2:10][C:26]5([OH:33])[C:21](=[O:31])[O:36]4)([C:22](=[O:32])[O:37]6)[O:34][CH2:12][CH:16]2[C:19](=[O:30])[O:35]3

Parent-child relations graph

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