achilleol B

Properties Image MNX_ID MNXM5598 reference chebi:63461 formula C30H50O global charge 0 mol weight 426.729 InChIKey OPDQSNQDIGJUIR-FEHKDBFISA-N InChI InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26+,27+,30+/m1/s1 SMILES C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 MNX internals InChI (mnx) InChI=1/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26+,27+,30+/m1/s1 SMILES (mnx) [CH3:1]/[C:21](=[CH:10]\[CH2:9][CH2:11][C:24]1=[C:22]([CH3:2])[CH2:16][CH2:17][C@@:30]2([CH3:8])[CH2:19][CH2:18][C:28]([CH3:4])([CH3:5])[CH2:20][C@@H:26]12)[CH2:12][CH2:14][C@@H:25]1[C:23](=[CH2:3])[CH2:13][CH2:15][C@H:27]([OH:31])[C:29]1([CH3:6])[CH3:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1