| Properties | Image |
|---|
| MNX_ID | MNXM1186496 |
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| reference | envipathM:...cfeaac035634 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | NNEIXTMAVUANTN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-16-24-34-48-49(65-48)35-25-18-14-21-27-37-52(59)62-42-45(64-54(61)39-29-20-13-11-9-8-10-12-17-23-31-44(56)32-30-40-55)43-63-53(60)38-28-22-15-19-26-36-50-51(66-50)41-47(58)46(57)33-6-4-2/h10,12,16,23-24,31,40,44-46,48-51,56-57H,3-9,11,13-15,17-22,25-30,32-39,41-43H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(=O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-16-24-34-48-49(65-48)35-25-18-14-21-27-37-52(59)62-42-45(64-54(61)39-29-20-13-11-9-8-10-12-17-23-31-44(56)32-30-40-55)43-63-53(60)38-28-22-15-19-26-36-50-51(66-50)41-47(58)46(57)33-6-4-2/h10,12,16,23-24,31,40,44-46,48-51,56-57H,3-9,11,13-15,17-22,25-30,32-39,41-43H2,1-2H3/b12-10?,24-16?,31-23?/t44?,45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:16]=[CH:24][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:25][CH2:18][CH2:14][CH2:21][CH2:27][CH2:37][C:52](=[O:59])[O:62][CH2:42][CH:45]([CH2:43][O:63][C:53]([CH2:38][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:36][CH:50]2[CH:51]([CH2:41][C:47]([CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:57])=[O:58])[O:66]2)=[O:60])[O:64][C:54]([CH2:39][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:17][CH:23]=[CH:31][CH:44]([CH2:32][CH2:30][CH:40]=[O:55])[OH:56])=[O:61])[O:65]1 |
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