| Properties | Image |
|---|
| MNX_ID | MNXM1189922 |
 |
| reference | envipathM:...c1c8569a7800 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | JDWJJGKLLCRHIH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-39-54(61)64-45(42-62-52(59)37-25-21-16-18-23-34-48-49(65-48)36-30-32-44(56)31-4-2)43-63-53(60)38-26-22-17-19-24-35-50-51(66-50)41-47(58)46(57)33-28-29-40-55/h7-8,30,32,45-51,55,57-58H,3-6,9-29,31,33-43H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CCC)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-39-54(61)64-45(42-62-52(59)37-25-21-16-18-23-34-48-49(65-48)36-30-32-44(56)31-4-2)43-63-53(60)38-26-22-17-19-24-35-50-51(66-50)41-47(58)46(57)33-28-29-40-55/h7-8,30,32,45-51,55,57-58H,3-6,9-29,31,33-43H2,1-2H3/b8-7?,32-30?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:27][CH2:39][C:54](=[O:61])[O:64][CH:45]([CH2:42][O:62][C:52]([CH2:37][CH2:25][CH2:21][CH2:16][CH2:18][CH2:23][CH2:34][CH:48]1[CH:49]([CH2:36][CH:30]=[CH:32][C:44]([CH2:31][CH2:4][CH3:2])=[O:56])[O:65]1)=[O:59])[CH2:43][O:63][C:53]([CH2:38][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:35][CH:50]1[CH:51]([CH2:41][CH:47]([CH:46]([CH2:33][CH2:28][CH2:29][CH2:40][OH:55])[OH:57])[OH:58])[O:66]1)=[O:60] |
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