| Properties | Image |
|---|
| MNX_ID | MNXM1189968 |
 |
| reference | envipathM:...77be6327274e |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | NTRQCQSDJHMJRE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-17-26-34-48-49(66-48)35-27-20-15-22-29-37-52(60)63-40-42(65-54(62)46(58)33-25-19-14-12-10-11-13-18-24-32-44(56)43(55)6-3)41-64-53(61)38-30-23-16-21-28-36-50-51(67-50)39-47(59)45(57)31-8-5-2/h11,13,17,24,26,32,42-51,55-59H,4-10,12,14-16,18-23,25,27-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-17-26-34-48-49(66-48)35-27-20-15-22-29-37-52(60)63-40-42(65-54(62)46(58)33-25-19-14-12-10-11-13-18-24-32-44(56)43(55)6-3)41-64-53(61)38-30-23-16-21-28-36-50-51(67-50)39-47(59)45(57)31-8-5-2/h11,13,17,24,26,32,42-51,55-59H,4-10,12,14-16,18-23,25,27-31,33-41H2,1-3H3/b13-11?,26-17?,32-24?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:26][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:27][CH2:20][CH2:15][CH2:22][CH2:29][CH2:37][C:52](=[O:60])[O:63][CH2:40][CH:42]([CH2:41][O:64][C:53]([CH2:38][CH2:30][CH2:23][CH2:16][CH2:21][CH2:28][CH2:36][CH:50]2[CH:51]([CH2:39][CH:47]([CH:45]([CH2:31][CH2:8][CH2:5][CH3:2])[OH:57])[OH:59])[O:67]2)=[O:61])[O:65][C:54]([CH:46]([CH2:33][CH2:25][CH2:19][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:18][CH:24]=[CH:32][CH:44]([CH:43]([CH2:6][CH3:3])[OH:55])[OH:56])[OH:58])=[O:62])[O:66]1 |
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