| Properties | Image |
|---|
| MNX_ID | MNXM1183444 |
 |
| reference | envipathM:...9e2c045a3647 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | WMWSTLDSPFMCBP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-31-46-48(67-46)37-49-47(68-49)32-20-16-14-18-21-35-50(58)63-38-42(65-51(59)36-22-17-13-11-9-8-10-12-15-19-28-40(55)26-5-2)39-64-54(62)53(61)52(60)43(57)30-23-24-33-44-45(66-44)34-25-29-41(56)27-6-3/h10,12,19,25,28-29,40-49,52-53,55-57,60-61H,4-9,11,13-18,20-24,26-27,30-39H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)C(O)C(O)CCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-31-46-48(67-46)37-49-47(68-49)32-20-16-14-18-21-35-50(58)63-38-42(65-51(59)36-22-17-13-11-9-8-10-12-15-19-28-40(55)26-5-2)39-64-54(62)53(61)52(60)43(57)30-23-24-33-44-45(66-44)34-25-29-41(56)27-6-3/h10,12,19,25,28-29,40-49,52-53,55-57,60-61H,4-9,11,13-18,20-24,26-27,30-39H2,1-3H3/b12-10?,28-19?,29-25?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:31][CH:46]1[CH:48]([CH2:37][CH:49]2[CH:47]([CH2:32][CH2:20][CH2:16][CH2:14][CH2:18][CH2:21][CH2:35][C:50](=[O:58])[O:63][CH2:38][CH:42]([CH2:39][O:64][C:54]([CH:53]([CH:52]([CH:43]([CH2:30][CH2:23][CH2:24][CH2:33][CH:44]3[CH:45]([CH2:34][CH:25]=[CH:29][CH:41]([CH2:27][CH2:6][CH3:3])[OH:56])[O:66]3)[OH:57])[OH:60])[OH:61])=[O:62])[O:65][C:51]([CH2:36][CH2:22][CH2:17][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:15][CH:19]=[CH:28][CH:40]([CH2:26][CH2:5][CH3:2])[OH:55])=[O:59])[O:68]2)[O:67]1 |
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