| Properties | Image |
MNX_ID | MNXM193128 |
 |
reference | slm:000120049 |
formula | C38H72O5 |
global charge | 0 |
mol weight | 608.989 |
InChIKey | QHXCYXWQTUBPDE-WZMBWMSESA-N |
InChI | InChI=1S/C38H72O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-17-14-15-18-21-24-27-30-35(2)3/h9-10,35-36,39H,4-8,11-34H2,1-3H3/b10-9+/t36-/m1/s1 |
SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C38H72O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-17-14-15-18-21-24-27-30-35(2)3/h9-10,35-36,39H,4-8,11-34H2,1-3H3/b10-9+/t36-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]/[CH2:11][CH2:12][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][C:37](=[O:40])[O:42][CH2:33][C@H:36]([CH2:34][O:43][C:38]([CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH:35]([CH3:2])[CH3:3])=[O:41])[OH:39] |
|