| Properties | Image |
|---|
| MNX_ID | MNXM1175364 |
 |
| reference | envipathM:...ecdf11376b72 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | RADUEWYWPPJDNR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-31-38-49(59)64-42(40-62-47(57)36-29-23-16-19-26-33-44-45(65-44)34-27-21-18-25-32-39-55)41-63-48(58)37-30-24-17-20-28-35-46-52(66-46)51(61)54-53(67-54)50(60)43(56)4-2/h10-11,21,27,42-46,50-56,60-61H,3-9,12-20,22-26,28-41H2,1-2H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-31-38-49(59)64-42(40-62-47(57)36-29-23-16-19-26-33-44-45(65-44)34-27-21-18-25-32-39-55)41-63-48(58)37-30-24-17-20-28-35-46-52(66-46)51(61)54-53(67-54)50(60)43(56)4-2/h10-11,21,27,42-46,50-56,60-61H,3-9,12-20,22-26,28-41H2,1-2H3/b11-10?,27-21?/t42?,43?,44?,45?,46?,50?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:22][CH2:31][CH2:38][C:49](=[O:59])[O:64][CH:42]([CH2:40][O:62][C:47]([CH2:36][CH2:29][CH2:23][CH2:16][CH2:19][CH2:26][CH2:33][CH:44]1[CH:45]([CH2:34][CH:27]=[CH:21][CH2:18][CH2:25][CH2:32][CH2:39][OH:55])[O:65]1)=[O:57])[CH2:41][O:63][C:48]([CH2:37][CH2:30][CH2:24][CH2:17][CH2:20][CH2:28][CH2:35][CH:46]1[CH:52]([CH:51]([CH:54]2[CH:53]([CH:50]([CH:43]([CH2:4][CH3:2])[OH:56])[OH:60])[O:67]2)[OH:61])[O:66]1)=[O:58] |
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