ecdysone hexadecanoate

Properties Image MNX_ID MNXM1107351 reference chebi:17551 formula C43H74O7 global charge 0 mol weight 703.058 InChIKey GLFFUXFTPFZULM-AQHFZAGCSA-N InChI InChI=1S/C43H74O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38-28-34-36(45)27-33-32(41(34,5)29-37(38)46)21-25-42(6)31(22-26-43(33,42)49)30(2)35(44)23-24-40(3,4)48/h27,30-32,34-35,37-38,44,46,48-49H,7-26,28-29H2,1-6H3/t30-,31+,32?,34-,35+,37-,38+,41+,42+,43+/m0/s1 SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H]2C(=O)C=C3C(CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]2(C)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C43H74O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38-28-34-36(45)27-33-32(41(34,5)29-37(38)46)21-25-42(6)31(22-26-43(33,42)49)30(2)35(44)23-24-40(3,4)48/h27,30-32,34-35,37-38,44,46,48-49H,7-26,28-29H2,1-6H3/t30-,31+,32?,34-,35+,37-,38+,41+,42+,43+/m0/s1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:39](=[O:47])[O:50][C@@H:38]1[CH2:28][C@H:34]2[C:36](=[O:45])[CH:27]=[C:33]3[CH:32]([CH2:21][CH2:25][C@:42]4([CH3:6])[C@@H:31]([C@H:30]([CH3:2])[C@@H:35]([CH2:23][CH2:24][C:40]([CH3:3])([CH3:4])[OH:48])[OH:44])[CH2:22][CH2:26][C@@:43]34[OH:49])[C@@:41]2([CH3:5])[CH2:29][C@@H:37]1[OH:46]

Parent-child relations graph

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