| Properties | Image |
|---|
| MNX_ID | MNXM1178041 |
 |
| reference | envipathM:...69de29a7588c |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | FEZVNAOQXJIDJP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-17-22-32-44(57)54(61)64-43(40-62-49(58)37-25-20-15-18-23-33-45-46(65-45)36-29-31-42(56)30-4-2)41-63-50(59)38-26-21-16-19-24-34-47-52(66-47)51(60)53-48(67-53)35-27-28-39-55/h10-11,29,31,42-48,51-53,55-57,60H,3-9,12-28,30,32-41H2,1-2H3 |
| SMILES | CCCCCCCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-17-22-32-44(57)54(61)64-43(40-62-49(58)37-25-20-15-18-23-33-45-46(65-45)36-29-31-42(56)30-4-2)41-63-50(59)38-26-21-16-19-24-34-47-52(66-47)51(60)53-48(67-53)35-27-28-39-55/h10-11,29,31,42-48,51-53,55-57,60H,3-9,12-28,30,32-41H2,1-2H3/b11-10?,31-29?/t42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:17][CH2:22][CH2:32][CH:44]([C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:49]([CH2:37][CH2:25][CH2:20][CH2:15][CH2:18][CH2:23][CH2:33][CH:45]1[CH:46]([CH2:36][CH:29]=[CH:31][CH:42]([CH2:30][CH2:4][CH3:2])[OH:56])[O:65]1)=[O:58])[CH2:41][O:63][C:50]([CH2:38][CH2:26][CH2:21][CH2:16][CH2:19][CH2:24][CH2:34][CH:47]1[CH:52]([CH:51]([CH:53]2[CH:48]([CH2:35][CH2:27][CH2:28][CH2:39][OH:55])[O:67]2)[OH:60])[O:66]1)=[O:59])[OH:57] |
|