| Properties | Image |
|---|
| MNX_ID | MNXM1196584 |
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| reference | envipathM:...c5ad540bf4d4 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | LGDDKEOULABZPE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-19-28-36-48-49(65-48)37-29-24-23-27-34-46(57)54(61)63-43-44(64-53(60)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-52(59)38-30-22-18-20-26-33-45(56)47(58)41-51-50(66-51)35-6-4-2/h8-9,19,28,40,44-51,56-58H,3-7,10-18,20-27,29-39,41-43H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-19-28-36-48-49(65-48)37-29-24-23-27-34-46(57)54(61)63-43-44(64-53(60)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-52(59)38-30-22-18-20-26-33-45(56)47(58)41-51-50(66-51)35-6-4-2/h8-9,19,28,40,44-51,56-58H,3-7,10-18,20-27,29-39,41-43H2,1-2H3/b9-8?,28-19?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:28][CH2:36][CH:48]1[CH:49]([CH2:37][CH2:29][CH2:24][CH2:23][CH2:27][CH2:34][CH:46]([C:54](=[O:61])[O:63][CH2:43][CH:44]([CH2:42][O:62][C:52]([CH2:38][CH2:30][CH2:22][CH2:18][CH2:20][CH2:26][CH2:33][CH:45]([CH:47]([CH2:41][CH:51]2[CH:50]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:58])[OH:56])=[O:59])[O:64][C:53]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:25][CH2:32][CH:40]=[O:55])=[O:60])[OH:57])[O:65]1 |
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