| Properties | Image |
|---|
| MNX_ID | MNXM1181812 |
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| reference | envipathM:...5d79bdc63bec |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | PMIMMSMILQBFLX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-15-23-32-48-49(65-48)33-24-17-13-20-26-35-52(59)62-41-45(64-54(61)37-28-19-12-10-11-16-22-30-44(56)39-38-43(55)29-6-3)42-63-53(60)36-27-21-14-18-25-34-50-51(66-50)40-47(58)46(57)31-8-5-2/h15,23,38-39,44-51,56-58H,4-14,16-22,24-37,40-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCCCC(O)C=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-15-23-32-48-49(65-48)33-24-17-13-20-26-35-52(59)62-41-45(64-54(61)37-28-19-12-10-11-16-22-30-44(56)39-38-43(55)29-6-3)42-63-53(60)36-27-21-14-18-25-34-50-51(66-50)40-47(58)46(57)31-8-5-2/h15,23,38-39,44-51,56-58H,4-14,16-22,24-37,40-42H2,1-3H3/b23-15?,39-38?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:23][CH2:32][CH:48]1[CH:49]([CH2:33][CH2:24][CH2:17][CH2:13][CH2:20][CH2:26][CH2:35][C:52](=[O:59])[O:62][CH2:41][CH:45]([CH2:42][O:63][C:53]([CH2:36][CH2:27][CH2:21][CH2:14][CH2:18][CH2:25][CH2:34][CH:50]2[CH:51]([CH2:40][CH:47]([CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[OH:57])[OH:58])[O:66]2)=[O:60])[O:64][C:54]([CH2:37][CH2:28][CH2:19][CH2:12][CH2:10][CH2:11][CH2:16][CH2:22][CH2:30][CH:44]([CH:39]=[CH:38][C:43]([CH2:29][CH2:6][CH3:3])=[O:55])[OH:56])=[O:61])[O:65]1 |
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