| Properties | Image |
|---|
| MNX_ID | MNXM1172061 |
 |
| reference | envipathM:...e98347bfc8ce |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | WDDNMAQFDMICJI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-12-23-33-46-47(66-46)34-24-14-11-15-25-35-51(60)63-39-41(65-52(61)36-26-18-20-29-43(57)42(56)28-19-13-9-8-10-16-27-37-55)40-64-54(62)45(59)31-22-17-21-30-44(58)53-50(68-53)38-49-48(67-49)32-6-4-2/h8-9,12,19,23,28,41-50,53,55-59H,3-7,10-11,13-18,20-22,24-27,29-40H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCC(O)C(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-12-23-33-46-47(66-46)34-24-14-11-15-25-35-51(60)63-39-41(65-52(61)36-26-18-20-29-43(57)42(56)28-19-13-9-8-10-16-27-37-55)40-64-54(62)45(59)31-22-17-21-30-44(58)53-50(68-53)38-49-48(67-49)32-6-4-2/h8-9,12,19,23,28,41-50,53,55-59H,3-7,10-11,13-18,20-22,24-27,29-40H2,1-2H3/b9-8?,23-12?,28-19?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:12]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:14][CH2:11][CH2:15][CH2:25][CH2:35][C:51](=[O:60])[O:63][CH2:39][CH:41]([CH2:40][O:64][C:54]([CH:45]([CH2:31][CH2:22][CH2:17][CH2:21][CH2:30][CH:44]([CH:53]2[CH:50]([CH2:38][CH:49]3[CH:48]([CH2:32][CH2:6][CH2:4][CH3:2])[O:67]3)[O:68]2)[OH:58])[OH:59])=[O:62])[O:65][C:52]([CH2:36][CH2:26][CH2:18][CH2:20][CH2:29][CH:43]([CH:42]([CH:28]=[CH:19][CH2:13][CH:9]=[CH:8][CH2:10][CH2:16][CH2:27][CH2:37][OH:55])[OH:56])[OH:57])=[O:61])[O:66]1 |
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