| Properties | Image |
|---|
| MNX_ID | MNXM1182169 |
 |
| reference | envipathM:...c23c3d7de0de |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | KQQZLKGWUUQUCR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-8-17-26-35-45-46(64-45)36-27-20-16-23-29-38-49(58)62-41-43(63-50(59)39-30-21-14-12-10-9-11-13-18-24-33-42(55)31-5-2)40-61-48(57)37-28-22-15-19-25-34-44(56)51(60)53-54-52(66-54)47(65-53)32-6-3/h11,13,17,24,26,33,42-47,51-56,60H,4-10,12,14-16,18-23,25,27-32,34-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)C1OC(CCC)C2OC21)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-8-17-26-35-45-46(64-45)36-27-20-16-23-29-38-49(58)62-41-43(63-50(59)39-30-21-14-12-10-9-11-13-18-24-33-42(55)31-5-2)40-61-48(57)37-28-22-15-19-25-34-44(56)51(60)53-54-52(66-54)47(65-53)32-6-3/h11,13,17,24,26,33,42-47,51-56,60H,4-10,12,14-16,18-23,25,27-32,34-41H2,1-3H3/b13-11?,26-17?,33-24?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:17]=[CH:26][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:27][CH2:20][CH2:16][CH2:23][CH2:29][CH2:38][C:49](=[O:58])[O:62][CH2:41][CH:43]([CH2:40][O:61][C:48]([CH2:37][CH2:28][CH2:22][CH2:15][CH2:19][CH2:25][CH2:34][CH:44]([CH:51]([CH:53]2[CH:54]3[CH:52]([CH:47]([CH2:32][CH2:6][CH3:3])[O:65]2)[O:66]3)[OH:60])[OH:56])=[O:57])[O:63][C:50]([CH2:39][CH2:30][CH2:21][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:18][CH:24]=[CH:33][CH:42]([CH2:31][CH2:5][CH3:2])[OH:55])=[O:59])[O:64]1 |
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