| Properties | Image |
|---|
| MNX_ID | MNXM1190856 |
 |
| reference | envipathM:...d7d31780136f |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | PRGANFRSGVQTGJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-15-25-34-46-47(64-46)35-26-17-14-19-28-37-52(58)61-40-42(63-53(59)38-29-18-13-11-12-16-23-31-44(56)43(55)30-22-8-5-2)41-62-54(60)45(57)32-24-20-21-27-36-49-51(66-49)39-50-48(65-50)33-9-6-3/h15,23,25,31,42,44-51,56-57H,4-14,16-22,24,26-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-15-25-34-46-47(64-46)35-26-17-14-19-28-37-52(58)61-40-42(63-53(59)38-29-18-13-11-12-16-23-31-44(56)43(55)30-22-8-5-2)41-62-54(60)45(57)32-24-20-21-27-36-49-51(66-49)39-50-48(65-50)33-9-6-3/h15,23,25,31,42,44-51,56-57H,4-14,16-22,24,26-30,32-41H2,1-3H3/b25-15?,31-23?/t42?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:25][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:26][CH2:17][CH2:14][CH2:19][CH2:28][CH2:37][C:52](=[O:58])[O:61][CH2:40][CH:42]([CH2:41][O:62][C:54]([CH:45]([CH2:32][CH2:24][CH2:20][CH2:21][CH2:27][CH2:36][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:33][CH2:9][CH2:6][CH3:3])[O:65]3)[O:66]2)[OH:57])=[O:60])[O:63][C:53]([CH2:38][CH2:29][CH2:18][CH2:13][CH2:11][CH2:12][CH2:16][CH:23]=[CH:31][CH:44]([C:43]([CH2:30][CH2:22][CH2:8][CH2:5][CH3:2])=[O:55])[OH:56])=[O:59])[O:64]1 |
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