| Properties | Image |
|---|
| MNX_ID | MNXM1170848 |
 |
| reference | envipathM:...09b4f1e0afc1 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | TWVBTXJHWLXSME-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-17-27-36-50-51(67-50)37-28-19-16-21-29-38-52(61)64-41-44(66-53(62)39-30-20-15-13-11-10-12-14-18-24-32-43(55)31-6-3)42-65-54(63)47(58)35-26-23-22-25-34-46(57)49(60)40-48(59)45(56)33-8-5-2/h12,14,17,24,27,32,43-47,49-51,55-58,60H,4-11,13,15-16,18-23,25-26,28-31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC(O)C(O)CC(=O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-17-27-36-50-51(67-50)37-28-19-16-21-29-38-52(61)64-41-44(66-53(62)39-30-20-15-13-11-10-12-14-18-24-32-43(55)31-6-3)42-65-54(63)47(58)35-26-23-22-25-34-46(57)49(60)40-48(59)45(56)33-8-5-2/h12,14,17,24,27,32,43-47,49-51,55-58,60H,4-11,13,15-16,18-23,25-26,28-31,33-42H2,1-3H3/b14-12?,27-17?,32-24?/t43?,44?,45?,46?,47?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:27][CH2:36][CH:50]1[CH:51]([CH2:37][CH2:28][CH2:19][CH2:16][CH2:21][CH2:29][CH2:38][C:52](=[O:61])[O:64][CH2:41][CH:44]([CH2:42][O:65][C:54]([CH:47]([CH2:35][CH2:26][CH2:23][CH2:22][CH2:25][CH2:34][CH:46]([CH:49]([CH2:40][C:48]([CH:45]([CH2:33][CH2:8][CH2:5][CH3:2])[OH:56])=[O:59])[OH:60])[OH:57])[OH:58])=[O:63])[O:66][C:53]([CH2:39][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:24]=[CH:32][CH:43]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:62])[O:67]1 |
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