| Properties | Image |
|---|
| MNX_ID | MNXM1196633 |
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| reference | envipathM:...80581a6d46ff |
| formula | C54H96O11 |
| global charge | 0 |
| mol weight | 921.351 |
| InChIKey | JAUKRHUZMWHJCE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(59)63-44(42-61-52(58)39-32-25-21-23-30-37-49-48(64-49)36-29-22-11-8-5-2)43-62-54(60)46(56)35-28-26-27-31-38-50-51(65-50)41-47(57)45(55)34-9-6-3/h22,29,44,46-51,56-57H,4-21,23-28,30-43H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC(O)C(=O)CCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(59)63-44(42-61-52(58)39-32-25-21-23-30-37-49-48(64-49)36-29-22-11-8-5-2)43-62-54(60)46(56)35-28-26-27-31-38-50-51(65-50)41-47(57)45(55)34-9-6-3/h22,29,44,46-51,56-57H,4-21,23-28,30-43H2,1-3H3/b29-22?/t44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:33][CH2:40][C:53](=[O:59])[O:63][CH:44]([CH2:42][O:61][C:52]([CH2:39][CH2:32][CH2:25][CH2:21][CH2:23][CH2:30][CH2:37][CH:49]1[CH:48]([CH2:36][CH:29]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)=[O:58])[CH2:43][O:62][C:54]([CH:46]([CH2:35][CH2:28][CH2:26][CH2:27][CH2:31][CH2:38][CH:50]1[CH:51]([CH2:41][CH:47]([C:45]([CH2:34][CH2:9][CH2:6][CH3:3])=[O:55])[OH:57])[O:65]1)[OH:56])=[O:60] |
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