Heliantriol C

Properties Image MNX_ID MNXM126399 reference chebi:190745 formula C30H50O3 global charge 0 mol weight 458.727 InChIKey SCAPWGHHHZEERU-DVYMRSPSSA-N InChI InChI=1S/C30H50O3/c1-17-15-23(32)30(8)24(33)16-29(7)19(25(30)18(17)2)9-10-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h15,18-25,31-33H,9-14,16H2,1-8H3/t18-,19-,20+,21-,22+,23+,24+,25+,27+,28-,29-,30-/m1/s1 SMILES CC1=C[C@H](O)[C@@]2(C)[C@@H]([C@@H]1C)[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O MNX internals InChI (mnx) InChI=1/C30H50O3/c1-17-15-23(32)30(8)24(33)16-29(7)19(25(30)18(17)2)9-10-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h15,18-25,31-33H,9-14,16H2,1-8H3/t18-,19-,20+,21-,22+,23+,24+,25+,27+,28-,29-,30-/m1/s1 SMILES (mnx) [CH3:1][C:17]1=[CH:15][C@H:23]([OH:32])[C@:30]2([CH3:8])[C@@H:24]([OH:33])[CH2:16][C@:29]3([CH3:7])[C@H:19]([CH2:9][CH2:10][C@@H:21]4[C@@:27]5([CH3:5])[CH2:13][CH2:12][C@H:22]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:20]5[CH2:11][CH2:14][C@:28]43[CH3:6])[C@@H:25]2[C@@H:18]1[CH3:2]

Parent-child relations graph

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