| Properties | Image |
|---|
| MNX_ID | MNXM1188472 |
 |
| reference | envipathM:...3766d35da7b2 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | DJBDOBBZHBEKCY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-54(62)65-45(42-63-52(60)38-28-24-19-21-26-35-46(56)47(57)36-31-33-44(55)32-6-3)43-64-53(61)39-29-25-20-22-27-37-50-51(66-50)41-49(59)48(58)34-8-5-2/h10-11,13-14,44-46,48-51,55-56,58-59H,4-9,12,15-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CCCC(O)CCC)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-54(62)65-45(42-63-52(60)38-28-24-19-21-26-35-46(56)47(57)36-31-33-44(55)32-6-3)43-64-53(61)39-29-25-20-22-27-37-50-51(66-50)41-49(59)48(58)34-8-5-2/h10-11,13-14,44-46,48-51,55-56,58-59H,4-9,12,15-43H2,1-3H3/b11-10?,14-13?/t44?,45?,46?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:30][CH2:40][C:54](=[O:62])[O:65][CH:45]([CH2:42][O:63][C:52]([CH2:38][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:35][CH:46]([C:47]([CH2:36][CH2:31][CH2:33][CH:44]([CH2:32][CH2:6][CH3:3])[OH:55])=[O:57])[OH:56])=[O:60])[CH2:43][O:64][C:53]([CH2:39][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:37][CH:50]1[CH:51]([CH2:41][CH:49]([CH:48]([CH2:34][CH2:8][CH2:5][CH3:2])[OH:58])[OH:59])[O:66]1)=[O:61] |
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