| Properties | Image |
|---|
| MNX_ID | MNXM335620 |
 |
| reference | slm:000152170 |
| formula | C55H90O6 |
| global charge | 0 |
| mol weight | 847.319 |
| InChIKey | AZTFEGBPFYVXJH-GMNWBGIXSA-N |
| InChI | InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28,33,36,52H,4-6,9,12-14,21-23,27,29-32,34-35,37-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,36-33-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28,33,36,52H,4-6,9,12-14,21-23,27,29-32,34-35,37-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,36-33-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][C@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:33]\[CH2:30]/[CH:28]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:57] |
|