| Properties | Image |
|---|
| MNX_ID | MNXM1198591 |
 |
| reference | envipathM:...6398d4525682 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | ADYPBWPUOJFRRZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-8-23-32-43(57)50-45(66-50)34-26-21-20-24-33-44(58)54(62)64-39-41(65-48(60)37-28-18-14-12-10-9-11-13-16-22-31-40(55)29-5-2)38-63-47(59)36-27-19-15-17-25-35-46-52(67-46)49(61)53-51(68-53)42(56)30-6-3/h11,13,22-23,31-32,40-46,49-53,55-58,61H,4-10,12,14-21,24-30,33-39H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-8-23-32-43(57)50-45(66-50)34-26-21-20-24-33-44(58)54(62)64-39-41(65-48(60)37-28-18-14-12-10-9-11-13-16-22-31-40(55)29-5-2)38-63-47(59)36-27-19-15-17-25-35-46-52(67-46)49(61)53-51(68-53)42(56)30-6-3/h11,13,22-23,31-32,40-46,49-53,55-58,61H,4-10,12,14-21,24-30,33-39H2,1-3H3/b13-11?,31-22?,32-23?/t40?,41?,42?,43?,44?,45?,46?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:23]=[CH:32][CH:43]([CH:50]1[CH:45]([CH2:34][CH2:26][CH2:21][CH2:20][CH2:24][CH2:33][CH:44]([C:54](=[O:62])[O:64][CH2:39][CH:41]([CH2:38][O:63][C:47]([CH2:36][CH2:27][CH2:19][CH2:15][CH2:17][CH2:25][CH2:35][CH:46]2[CH:52]([CH:49]([CH:53]3[CH:51]([CH:42]([CH2:30][CH2:6][CH3:3])[OH:56])[O:68]3)[OH:61])[O:67]2)=[O:59])[O:65][C:48]([CH2:37][CH2:28][CH2:18][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:16][CH:22]=[CH:31][CH:40]([CH2:29][CH2:5][CH3:2])[OH:55])=[O:60])[OH:58])[O:66]1)[OH:57] |
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