3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone

Properties Image MNX_ID MNXM101877 reference chebi:69009 formula C26H38O3 global charge 0 mol weight 398.587 InChIKey BWKLKUMHNBYPDA-APSMHXCZSA-N InChI InChI=1S/C26H38O3/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)27)9-13-25(4)17(8-12-26(19,25)5)16-14-22(28)29-15-16/h6,16-18,20H,7-15H2,1-5H3/t16-,17+,18+,20+,24-,25+,26-/m1/s1 SMILES CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@H]5COC(=O)C5)CC[C@]4(C)C3=CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C26H38O3/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)27)9-13-25(4)17(8-12-26(19,25)5)16-14-22(28)29-15-16/h6,16-18,20H,7-15H2,1-5H3/t16-,17+,18+,20+,24-,25+,26-/m1/s1 SMILES (mnx) [CH3:1][C:23]1([CH3:2])[C@@H:20]2[CH2:7][CH:6]=[C:19]3[C@H:18]([CH2:9][CH2:13][C@@:25]4([CH3:4])[C@H:17]([C@@H:16]5[CH2:14][C:22](=[O:28])[O:29][CH2:15]5)[CH2:8][CH2:12][C@:26]34[CH3:5])[C@@:24]2([CH3:3])[CH2:11][CH2:10][C:21]1=[O:27]

Parent-child relations graph

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