| Properties | Image |
MNX_ID | MNXM325276 |
 |
reference | slm:000136310 |
formula | C51H92O6 |
global charge | 0 |
mol weight | 801.291 |
InChIKey | JVDLDQDJMGHTFK-DLFXJTLBSA-N |
InChI | InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h11,14,20,23,30,32,48H,4-10,12-13,15-19,21-22,24-29,31,33-47H2,1-3H3/b14-11-,23-20-,32-30-/t48-/m1/s1 |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h11,14,20,23,30,32,48H,4-10,12-13,15-19,21-22,24-29,31,33-47H2,1-3H3/b14-11-,23-20-,32-30-/t48-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:25][CH2:27]/[CH:30]=[CH:32]\[CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:52])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:28][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54] |
|