| Properties | Image |
|---|
| MNX_ID | MNXM1177995 |
 |
| reference | envipathM:...13fc3e05e1a1 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | PJGSULFEUWFYLL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-15-24-34-46-47(64-46)35-25-17-14-19-27-37-52(58)61-41-44(63-53(59)38-28-18-13-11-9-8-10-12-16-22-30-43(56)31-29-39-55)42-62-54(60)45(57)32-23-20-21-26-36-49-51(66-49)40-50-48(65-50)33-6-4-2/h10,12,22,30,43-51,55-57H,3-9,11,13-21,23-29,31-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-15-24-34-46-47(64-46)35-25-17-14-19-27-37-52(58)61-41-44(63-53(59)38-28-18-13-11-9-8-10-12-16-22-30-43(56)31-29-39-55)42-62-54(60)45(57)32-23-20-21-26-36-49-51(66-49)40-50-48(65-50)33-6-4-2/h10,12,22,30,43-51,55-57H,3-9,11,13-21,23-29,31-42H2,1-2H3/b12-10?,30-22?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:15][CH2:24][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:25][CH2:17][CH2:14][CH2:19][CH2:27][CH2:37][C:52](=[O:58])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:54]([CH:45]([CH2:32][CH2:23][CH2:20][CH2:21][CH2:26][CH2:36][CH:49]2[CH:51]([CH2:40][CH:50]3[CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)[OH:57])=[O:60])[O:63][C:53]([CH2:38][CH2:28][CH2:18][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:16][CH:22]=[CH:30][CH:43]([CH2:31][CH2:29][CH2:39][OH:55])[OH:56])=[O:59])[O:64]1 |
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