| Properties | Image |
|---|
| MNX_ID | MNXM1195856 |
 |
| reference | envipathM:...cfe28860f10c |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | LXDBSDADHNLJIH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-14-23-32-46-47(64-46)33-24-17-12-19-26-35-52(58)61-40-44(63-54(60)45(57)30-22-16-11-10-15-21-29-43(56)38-37-42(55)28-6-3)41-62-53(59)36-27-20-13-18-25-34-49-51(66-49)39-50-48(65-50)31-8-5-2/h21,29,37-38,43-51,56-57H,4-20,22-28,30-36,39-41H2,1-3H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CC(O)C=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-14-23-32-46-47(64-46)33-24-17-12-19-26-35-52(58)61-40-44(63-54(60)45(57)30-22-16-11-10-15-21-29-43(56)38-37-42(55)28-6-3)41-62-53(59)36-27-20-13-18-25-34-49-51(66-49)39-50-48(65-50)31-8-5-2/h21,29,37-38,43-51,56-57H,4-20,22-28,30-36,39-41H2,1-3H3/b29-21?,38-37?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:14][CH2:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:24][CH2:17][CH2:12][CH2:19][CH2:26][CH2:35][C:52](=[O:58])[O:61][CH2:40][CH:44]([CH2:41][O:62][C:53]([CH2:36][CH2:27][CH2:20][CH2:13][CH2:18][CH2:25][CH2:34][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:31][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:63][C:54]([CH:45]([CH2:30][CH2:22][CH2:16][CH2:11][CH2:10][CH2:15][CH:21]=[CH:29][CH:43]([CH:38]=[CH:37][C:42]([CH2:28][CH2:6][CH3:3])=[O:55])[OH:56])[OH:57])=[O:60])[O:64]1 |
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