| Properties | Image |
|---|
| MNX_ID | MNXM1179527 |
 |
| reference | envipathM:...d24742ae4c19 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | GEELNZYJGNYREE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-15-26-35-48-49(66-48)36-27-18-14-19-29-38-52(60)63-40-43(65-54(62)46(58)34-24-17-13-12-16-23-31-42(55)30-22-11-8-5-2)41-64-53(61)45(57)33-25-20-21-28-37-50-51(67-50)39-47(59)44(56)32-9-6-3/h15,22-23,26,30-31,43-51,56-59H,4-14,16-21,24-25,27-29,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)C(O)CCCCCCC=CC(=O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-15-26-35-48-49(66-48)36-27-18-14-19-29-38-52(60)63-40-43(65-54(62)46(58)34-24-17-13-12-16-23-31-42(55)30-22-11-8-5-2)41-64-53(61)45(57)33-25-20-21-28-37-50-51(67-50)39-47(59)44(56)32-9-6-3/h15,22-23,26,30-31,43-51,56-59H,4-14,16-21,24-25,27-29,32-41H2,1-3H3/b26-15?,30-22?,31-23?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:26][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:27][CH2:18][CH2:14][CH2:19][CH2:29][CH2:38][C:52](=[O:60])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:53]([CH:45]([CH2:33][CH2:25][CH2:20][CH2:21][CH2:28][CH2:37][CH:50]2[CH:51]([CH2:39][CH:47]([CH:44]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:56])[OH:59])[O:67]2)[OH:57])=[O:61])[O:65][C:54]([CH:46]([CH2:34][CH2:24][CH2:17][CH2:13][CH2:12][CH2:16][CH:23]=[CH:31][C:42]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[OH:58])=[O:62])[O:66]1 |
|