| Properties | Image |
|---|
| MNX_ID | MNXM223665 |
 |
| reference | slm:000190524 |
| formula | C59H102O6 |
| global charge | 0 |
| mol weight | 907.459 |
| InChIKey | QTHLGVOWIJTDPW-WZXOHMRLSA-N |
| InChI | InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h12,15,17,20-21,24-27,31,36,39,56H,4-11,13-14,16,18-19,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b15-12-,20-17-,24-21-,27-25-,31-26-,39-36-/t56-/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-34-31-26-23-20-17-14-11-8-5-2/h12,15,17,20-21,24-27,31,36,39,56H,4-11,13-14,16,18-19,22-23,28-30,32-35,37-38,40-55H2,1-3H3/b15-12-,20-17-,24-21-,27-25-,31-26-,39-36-/t56-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:32][CH2:35][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:34]/[CH:31]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:33]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:62] |
|