| Properties | Image |
|---|
| MNX_ID | MNXM1180920 |
 |
| reference | envipathM:...4e1e62c60b49 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | QDXJNLKXSOFKST-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-11-22-32-46-47(65-46)33-23-14-9-16-25-35-52(59)62-40-43(64-54(61)37-27-18-21-30-45(58)44(57)29-20-13-8-12-19-28-42(56)39-55)41-63-53(60)36-26-17-10-15-24-34-49-51(67-49)38-50-48(66-50)31-6-4-2/h8,12,20,29,42-51,55-58H,3-7,9-11,13-19,21-28,30-41H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCC(O)C(O)C=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-11-22-32-46-47(65-46)33-23-14-9-16-25-35-52(59)62-40-43(64-54(61)37-27-18-21-30-45(58)44(57)29-20-13-8-12-19-28-42(56)39-55)41-63-53(60)36-26-17-10-15-24-34-49-51(67-49)38-50-48(66-50)31-6-4-2/h8,12,20,29,42-51,55-58H,3-7,9-11,13-19,21-28,30-41H2,1-2H3/b12-8?,29-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:11][CH2:22][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:23][CH2:14][CH2:9][CH2:16][CH2:25][CH2:35][C:52](=[O:59])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:53]([CH2:36][CH2:26][CH2:17][CH2:10][CH2:15][CH2:24][CH2:34][CH:49]2[CH:51]([CH2:38][CH:50]3[CH:48]([CH2:31][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:60])[O:64][C:54]([CH2:37][CH2:27][CH2:18][CH2:21][CH2:30][CH:45]([CH:44]([CH:29]=[CH:20][CH2:13][CH:8]=[CH:12][CH2:19][CH2:28][CH:42]([CH2:39][OH:55])[OH:56])[OH:57])[OH:58])=[O:61])[O:65]1 |
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