| Properties | Image |
|---|
| MNX_ID | MNXM1177527 |
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| reference | envipathM:...5c8805afa7bb |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | FDDUEHPMAWFUMH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-16-26-35-48-49(65-48)36-27-18-15-20-29-38-52(59)62-41-44(64-53(60)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)42-63-54(61)46(57)34-25-21-22-28-37-50-51(66-50)40-47(58)45(56)33-9-6-3/h16,23,26,31,43-44,46-51,55,57-58H,4-15,17-22,24-25,27-30,32-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC(O)C(=O)CCCC)OC(=O)CCCCCCCCCC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-16-26-35-48-49(65-48)36-27-18-15-20-29-38-52(59)62-41-44(64-53(60)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)42-63-54(61)46(57)34-25-21-22-28-37-50-51(66-50)40-47(58)45(56)33-9-6-3/h16,23,26,31,43-44,46-51,55,57-58H,4-15,17-22,24-25,27-30,32-42H2,1-3H3/b26-16?,31-23?/t43?,44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:26][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:27][CH2:18][CH2:15][CH2:20][CH2:29][CH2:38][C:52](=[O:59])[O:62][CH2:41][CH:44]([CH2:42][O:63][C:54]([CH:46]([CH2:34][CH2:25][CH2:21][CH2:22][CH2:28][CH2:37][CH:50]2[CH:51]([CH2:40][CH:47]([C:45]([CH2:33][CH2:9][CH2:6][CH3:3])=[O:56])[OH:58])[O:66]2)[OH:57])=[O:61])[O:64][C:53]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH2:24][CH2:32][CH:43]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:60])[O:65]1 |
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