| Properties | Image |
|---|
| MNX_ID | MNXM1191057 |
 |
| reference | envipathM:...718c117fb0c9 |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | YMORFBAMXBZADQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-4-7-9-16-25-34-45-46(64-45)35-26-19-14-21-28-37-51(57)61-40-43(63-54(60)53(59)44(56)32-24-18-13-11-10-12-17-23-31-42(55)30-6-3)41-62-52(58)38-29-22-15-20-27-36-48-50(66-48)39-49-47(65-49)33-8-5-2/h10,12,16,23,25,31,43,45-50,53,59H,4-9,11,13-15,17-22,24,26-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)C(=O)CCCCCC=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-4-7-9-16-25-34-45-46(64-45)35-26-19-14-21-28-37-51(57)61-40-43(63-54(60)53(59)44(56)32-24-18-13-11-10-12-17-23-31-42(55)30-6-3)41-62-52(58)38-29-22-15-20-27-36-48-50(66-48)39-49-47(65-49)33-8-5-2/h10,12,16,23,25,31,43,45-50,53,59H,4-9,11,13-15,17-22,24,26-30,32-41H2,1-3H3/b12-10?,25-16?,31-23?/t43?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:25][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:26][CH2:19][CH2:14][CH2:21][CH2:28][CH2:37][C:51](=[O:57])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:52]([CH2:38][CH2:29][CH2:22][CH2:15][CH2:20][CH2:27][CH2:36][CH:48]2[CH:50]([CH2:39][CH:49]3[CH:47]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:58])[O:63][C:54]([CH:53]([C:44]([CH2:32][CH2:24][CH2:18][CH2:13][CH2:11][CH:10]=[CH:12][CH2:17][CH:23]=[CH:31][C:42]([CH2:30][CH2:6][CH3:3])=[O:55])=[O:56])[OH:59])=[O:60])[O:64]1 |
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