| Properties | Image |
|---|
| MNX_ID | MNXM1195324 |
 |
| reference | envipathM:...1aee3627b8f2 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PJUGTXBZRCFIMM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-15-25-33-48-54(67-48)45(58)30-23-20-21-27-35-52(60)63-41-42(64-53(61)36-28-18-13-11-9-8-10-12-16-22-29-43(56)44(57)37-38-55)40-62-51(59)34-26-19-14-17-24-32-47-50(66-47)39-49-46(65-49)31-6-4-2/h10,12,22,29,42-50,54-58H,3-9,11,13-21,23-28,30-41H2,1-2H3 |
| SMILES | CCCCCCCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-15-25-33-48-54(67-48)45(58)30-23-20-21-27-35-52(60)63-41-42(64-53(61)36-28-18-13-11-9-8-10-12-16-22-29-43(56)44(57)37-38-55)40-62-51(59)34-26-19-14-17-24-32-47-50(66-47)39-49-46(65-49)31-6-4-2/h10,12,22,29,42-50,54-58H,3-9,11,13-21,23-28,30-41H2,1-2H3/b12-10?,29-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:15][CH2:25][CH2:33][CH:48]1[CH:54]([CH:45]([CH2:30][CH2:23][CH2:20][CH2:21][CH2:27][CH2:35][C:52](=[O:60])[O:63][CH2:41][CH:42]([CH2:40][O:62][C:51]([CH2:34][CH2:26][CH2:19][CH2:14][CH2:17][CH2:24][CH2:32][CH:47]2[CH:50]([CH2:39][CH:49]3[CH:46]([CH2:31][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:64][C:53]([CH2:36][CH2:28][CH2:18][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:16][CH:22]=[CH:29][CH:43]([CH:44]([CH2:37][CH2:38][OH:55])[OH:57])[OH:56])=[O:61])[OH:58])[O:67]1 |
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