5,11,17,23,29,35-hexa-tert-butylcalix[6]arene-37,38,39,40,41,42-hexol

Properties Image MNX_ID MNXM37872 reference chebi:51251 formula C66H84O6 global charge 0 mol weight 973.392 InChIKey UOEYZAXKBKAKRO-UHFFFAOYSA-N InChI InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3 SMILES CC(C)(C)C1=CC2=C(O)C(=C1)CC1=CC(C(C)(C)C)=CC(=C1O)CC1=C(O)C(=CC(C(C)(C)C)=C1)CC1=C(O)C(=CC(C(C)(C)C)=C1)CC1=CC(C(C)(C)C)=CC(=C1O)CC1=C(O)C(=CC(C(C)(C)C)=C1)C2 MNX internals InChI (mnx) InChI=1/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3 SMILES (mnx) [CH3:1][C:61]([CH3:2])([CH3:3])[C:49]1=[CH:25][C:37]2=[C:55]([OH:67])[C:38](=[CH:26]1)[CH2:20][C:40]1=[C:57]([OH:69])[C:42](=[CH:30][C:51]([C:63]([CH3:7])([CH3:8])[CH3:9])=[CH:28]1)[CH2:22][C:44]1=[C:59]([OH:71])[C:46](=[CH:34][C:53]([C:65]([CH3:13])([CH3:14])[CH3:15])=[CH:32]1)[CH2:24][C:48]1=[C:60]([OH:72])[C:47](=[CH:35][C:54]([C:66]([CH3:16])([CH3:17])[CH3:18])=[CH:36]1)[CH2:23][C:45]1=[C:58]([OH:70])[C:43](=[CH:31][C:52]([C:64]([CH3:10])([CH3:11])[CH3:12])=[CH:33]1)[CH2:21][C:41]1=[C:56]([OH:68])[C:39](=[CH:27][C:50]([C:62]([CH3:4])([CH3:5])[CH3:6])=[CH:29]1)[CH2:19]2

Parent-child relations graph

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