| Properties | Image |
|---|
| MNX_ID | MNXM1171417 |
 |
| reference | envipathM:...6947048ffec5 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | ZXUTUGMJPQJLTC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-14-24-34-46-47(65-46)35-25-17-13-18-26-36-51(59)62-40-43(64-54(61)45(58)32-23-16-12-10-8-9-11-15-21-29-42(56)30-28-38-55)41-63-52(60)37-27-20-19-22-31-44(57)53-50(67-53)39-49-48(66-49)33-6-4-2/h9,11,21,29,42-50,53,55-58H,3-8,10,12-20,22-28,30-41H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-14-24-34-46-47(65-46)35-25-17-13-18-26-36-51(59)62-40-43(64-54(61)45(58)32-23-16-12-10-8-9-11-15-21-29-42(56)30-28-38-55)41-63-52(60)37-27-20-19-22-31-44(57)53-50(67-53)39-49-48(66-49)33-6-4-2/h9,11,21,29,42-50,53,55-58H,3-8,10,12-20,22-28,30-41H2,1-2H3/b11-9?,29-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:14][CH2:24][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:25][CH2:17][CH2:13][CH2:18][CH2:26][CH2:36][C:51](=[O:59])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:52]([CH2:37][CH2:27][CH2:20][CH2:19][CH2:22][CH2:31][CH:44]([CH:53]2[CH:50]([CH2:39][CH:49]3[CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)[OH:57])=[O:60])[O:64][C:54]([CH:45]([CH2:32][CH2:23][CH2:16][CH2:12][CH2:10][CH2:8][CH:9]=[CH:11][CH2:15][CH:21]=[CH:29][CH:42]([CH2:30][CH2:28][CH2:38][OH:55])[OH:56])[OH:58])=[O:61])[O:65]1 |
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