| Properties | Image |
|---|
| MNX_ID | MNXM1181918 |
 |
| reference | envipathM:...ef8f5919fb85 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | FDJLKYWOWZANLX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-19-27-35-45-46(64-45)36-28-24-23-26-33-44(56)54(60)62-42-43(63-50(58)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)41-61-49(57)38-30-22-18-20-29-37-48-53(66-48)51(59)52-47(65-52)34-6-4-2/h8-9,13,15,19,27,40,43-48,51-53,56,59H,3-7,10-12,14,16-18,20-26,28-39,41-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-19-27-35-45-46(64-45)36-28-24-23-26-33-44(56)54(60)62-42-43(63-50(58)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)41-61-49(57)38-30-22-18-20-29-37-48-53(66-48)51(59)52-47(65-52)34-6-4-2/h8-9,13,15,19,27,40,43-48,51-53,56,59H,3-7,10-12,14,16-18,20-26,28-39,41-42H2,1-2H3/b9-8?,15-13?,27-19?/t43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:27][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:28][CH2:24][CH2:23][CH2:26][CH2:33][CH:44]([C:54](=[O:60])[O:62][CH2:42][CH:43]([CH2:41][O:61][C:49]([CH2:38][CH2:30][CH2:22][CH2:18][CH2:20][CH2:29][CH2:37][CH:48]2[CH:53]([CH:51]([CH:52]3[CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[O:65]3)[OH:59])[O:66]2)=[O:57])[O:63][C:50]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:25][CH2:32][CH:40]=[O:55])=[O:58])[OH:56])[O:64]1 |
|