| Properties | Image |
|---|
| MNX_ID | MNXM1191823 |
 |
| reference | envipathM:...216b89bfe875 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | STJFGQHWKVPGAH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-26-35-46(58)54(62)65-42(40-63-52(60)44(56)33-27-22-24-30-37-49-48(66-49)36-29-20-11-8-5-2)41-64-53(61)45(57)34-28-23-25-31-38-50-51(67-50)39-47(59)43(55)32-9-6-3/h12-13,15-16,20,29,42-46,48-51,55-58H,4-11,14,17-19,21-28,30-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)C(O)CCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-26-35-46(58)54(62)65-42(40-63-52(60)44(56)33-27-22-24-30-37-49-48(66-49)36-29-20-11-8-5-2)41-64-53(61)45(57)34-28-23-25-31-38-50-51(67-50)39-47(59)43(55)32-9-6-3/h12-13,15-16,20,29,42-46,48-51,55-58H,4-11,14,17-19,21-28,30-41H2,1-3H3/b13-12?,16-15?,29-20?/t42?,43?,44?,45?,46?,48?,49?,50?,51? |
 |
| 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][CH2:21][CH2:26][CH2:35][CH:46]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:52]([CH:44]([CH2:33][CH2:27][CH2:22][CH2:24][CH2:30][CH2:37][CH:49]1[CH:48]([CH2:36][CH:29]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])=[O:60])[CH2:41][O:64][C:53]([CH:45]([CH2:34][CH2:28][CH2:23][CH2:25][CH2:31][CH2:38][CH:50]1[CH:51]([CH2:39][C:47]([CH:43]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:55])=[O:59])[O:67]1)[OH:57])=[O:61])[OH:58] |
|