| Properties | Image |
|---|
| MNX_ID | MNXM1186910 |
 |
| reference | envipathM:...7983fbbc263d |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | AWZSESSXENBBBP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-49(59)65-42(40-63-48(58)38-31-26-25-28-34-44(56)52-46(66-52)37-30-21-11-8-5-2)41-64-54(62)45(57)35-29-24-23-27-33-43(55)50(60)51(61)53-47(67-53)36-9-6-3/h12-13,15-16,21,30,42-47,51-53,55-57,61H,4-11,14,17-20,22-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC(O)C(=O)C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-49(59)65-42(40-63-48(58)38-31-26-25-28-34-44(56)52-46(66-52)37-30-21-11-8-5-2)41-64-54(62)45(57)35-29-24-23-27-33-43(55)50(60)51(61)53-47(67-53)36-9-6-3/h12-13,15-16,21,30,42-47,51-53,55-57,61H,4-11,14,17-20,22-29,31-41H2,1-3H3/b13-12?,16-15?,30-21?/t42?,43?,44?,45?,46?,47?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:32][CH2:39][C:49](=[O:59])[O:65][CH:42]([CH2:40][O:63][C:48]([CH2:38][CH2:31][CH2:26][CH2:25][CH2:28][CH2:34][CH:44]([CH:52]1[CH:46]([CH2:37][CH:30]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])=[O:58])[CH2:41][O:64][C:54]([CH:45]([CH2:35][CH2:29][CH2:24][CH2:23][CH2:27][CH2:33][CH:43]([C:50]([CH:51]([CH:53]1[CH:47]([CH2:36][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:61])=[O:60])[OH:55])[OH:57])=[O:62] |
|