| Properties | Image |
|---|
| MNX_ID | MNXM1190517 |
 |
| reference | envipathM:...28da1e1c8963 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | QAQQKYFYSFFUEW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-37-53(61)64-44(41-62-51(59)35-28-24-19-21-26-32-45(56)47(58)40-50-48(65-50)33-8-5-2)42-63-52(60)36-29-25-20-22-27-34-49-54(66-49)46(57)39-38-43(55)31-6-3/h13-14,38-39,44-50,54,56-58H,4-12,15-37,40-42H2,1-3H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-37-53(61)64-44(41-62-51(59)35-28-24-19-21-26-32-45(56)47(58)40-50-48(65-50)33-8-5-2)42-63-52(60)36-29-25-20-22-27-34-49-54(66-49)46(57)39-38-43(55)31-6-3/h13-14,38-39,44-50,54,56-58H,4-12,15-37,40-42H2,1-3H3/b14-13?,39-38?/t44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:30][CH2:37][C:53](=[O:61])[O:64][CH:44]([CH2:41][O:62][C:51]([CH2:35][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:32][CH:45]([CH:47]([CH2:40][CH:50]1[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:58])[OH:56])=[O:59])[CH2:42][O:63][C:52]([CH2:36][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:34][CH:49]1[CH:54]([CH:46]([CH:39]=[CH:38][C:43]([CH2:31][CH2:6][CH3:3])=[O:55])[OH:57])[O:66]1)=[O:60] |
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