| Properties | Image |
|---|
| MNX_ID | MNXM1283630 |
 |
| reference | envipathM:...8674e60b8849 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | QPORNLPFCJQFAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-16-26-35-46-47(67-46)36-27-22-21-25-33-44(57)53(62)65-40-42(66-54(63)45(58)34-24-18-14-12-10-11-13-17-23-31-41(55)30-6-3)39-64-49(59)38-29-20-15-19-28-37-48-52(68-48)51(61)50(60)43(56)32-8-5-2/h11,13,16,23,26,31,41-48,50-52,55-58,60-61H,4-10,12,14-15,17-22,24-25,27-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-16-26-35-46-47(67-46)36-27-22-21-25-33-44(57)53(62)65-40-42(66-54(63)45(58)34-24-18-14-12-10-11-13-17-23-31-41(55)30-6-3)39-64-49(59)38-29-20-15-19-28-37-48-52(68-48)51(61)50(60)43(56)32-8-5-2/h11,13,16,23,26,31,41-48,50-52,55-58,60-61H,4-10,12,14-15,17-22,24-25,27-30,32-40H2,1-3H3/b13-11?,26-16?,31-23?/t41?,42?,43?,44?,45?,46?,47?,48?,50?,51?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:26][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:27][CH2:22][CH2:21][CH2:25][CH2:33][CH:44]([C:53](=[O:62])[O:65][CH2:40][CH:42]([CH2:39][O:64][C:49]([CH2:38][CH2:29][CH2:20][CH2:15][CH2:19][CH2:28][CH2:37][CH:48]2[CH:52]([CH:51]([CH:50]([CH:43]([CH2:32][CH2:8][CH2:5][CH3:2])[OH:56])[OH:60])[OH:61])[O:68]2)=[O:59])[O:66][C:54]([CH:45]([CH2:34][CH2:24][CH2:18][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:17][CH:23]=[CH:31][CH:41]([CH2:30][CH2:6][CH3:3])[OH:55])[OH:58])=[O:63])[OH:57])[O:67]1 |
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