| Properties | Image |
|---|
| MNX_ID | MNXM1196723 |
 |
| reference | envipathM:...1d355a552351 |
| formula | C54H96O11 |
| global charge | 0 |
| mol weight | 921.351 |
| InChIKey | VLVLEMXOHOGBIG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O11/c1-3-5-7-20-27-35-45-46(63-45)36-28-21-18-24-30-38-49(56)60-42-44(62-51(58)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)43-61-50(57)39-31-25-19-22-29-37-48-54(65-48)52(59)53-47(64-53)34-6-4-2/h20,27,44-48,52-55,59H,3-19,21-26,28-43H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCCCCCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O11/c1-3-5-7-20-27-35-45-46(63-45)36-28-21-18-24-30-38-49(56)60-42-44(62-51(58)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)43-61-50(57)39-31-25-19-22-29-37-48-54(65-48)52(59)53-47(64-53)34-6-4-2/h20,27,44-48,52-55,59H,3-19,21-26,28-43H2,1-2H3/b27-20?/t44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:27][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:28][CH2:21][CH2:18][CH2:24][CH2:30][CH2:38][C:49](=[O:56])[O:60][CH2:42][CH:44]([CH2:43][O:61][C:50]([CH2:39][CH2:31][CH2:25][CH2:19][CH2:22][CH2:29][CH2:37][CH:48]2[CH:54]([CH:52]([CH:53]3[CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[O:64]3)[OH:59])[O:65]2)=[O:57])[O:62][C:51]([CH2:40][CH2:32][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:26][CH2:33][CH2:41][OH:55])=[O:58])[O:63]1 |
|