longirostrerone C

Properties Image MNX_ID MNXM106284 reference chebi:68982 formula C32H38O6 global charge 0 mol weight 518.65 InChIKey HOGGEAXXACLKBX-OPYHNVJQSA-N InChI InChI=1S/C32H38O6/c1-7-18(2)13-20(4)14-19(3)11-12-25(34)29-30-23-17-37-26(28-21(5)9-8-10-24(28)33)15-22(23)16-27(35)32(30,6)38-31(29)36/h8,10-12,14-18,20-21,28-30H,7,9,13H2,1-6H3/b12-11+,19-14+/t18?,20?,21-,28+,29+,30-,32-/m0/s1 SMILES CCC(C)CC(C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@@H]12 MNX internals InChI (mnx) InChI=1/C32H38O6/c1-7-18(2)13-20(4)14-19(3)11-12-25(34)29-30-23-17-37-26(28-21(5)9-8-10-24(28)33)15-22(23)16-27(35)32(30,6)38-31(29)36/h8,10-12,14-18,20-21,28-30H,7,9,13H2,1-6H3/b12-11+,19-14+/t18?,20?,21-,28+,29+,30-,32-/m0/s1 SMILES (mnx) [CH3:1][CH2:7][CH:18]([CH3:2])[CH2:13][CH:20]([CH3:4])/[CH:14]=[C:19]([CH3:3])/[CH:11]=[CH:12]/[C:25]([C@@H:29]1[C@@H:30]2[C:23]3=[CH:17][O:37][C:26]([C@@H:28]4[C@@H:21]([CH3:5])[CH2:9][CH:8]=[CH:10][C:24]4=[O:33])=[CH:15][C:22]3=[CH:16][C:27](=[O:35])[C@:32]2([CH3:6])[O:38][C:31]1=[O:36])=[O:34]

Parent-child relations graph

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