| Properties | Image |
|---|
| MNX_ID | MNXM1138566 |
 |
| reference | envipathM:...f79266309d73 |
| formula | C58H100O15 |
| global charge | -2 |
| mol weight | 1037.423 |
| InChIKey | WWWQTGWBTZOPFN-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H102O15/c1-4-6-8-18-27-35-50-51(72-50)36-28-21-16-23-30-38-55(64)69-42-45(43-70-56(65)39-31-24-17-22-29-37-52-53(73-52)41-49(61)47(59)33-7-5-2)71-58(68)48(60)34-26-20-15-13-11-9-10-12-14-19-25-32-44(3)46(57(66)67)40-54(62)63/h9-10,44-53,59-61H,4-8,11-43H2,1-3H3,(H,62,63)(H,66,67)/p-2 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)C(O)CCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H102O15/c1-4-6-8-18-27-35-50-51(72-50)36-28-21-16-23-30-38-55(64)69-42-45(43-70-56(65)39-31-24-17-22-29-37-52-53(73-52)41-49(61)47(59)33-7-5-2)71-58(68)48(60)34-26-20-15-13-11-9-10-12-14-19-25-32-44(3)46(57(66)67)40-54(62)63/h9-10,44-53,59-61H,4-8,11-43H2,1-3H3,(H,62,63)(H,66,67)/b10-9?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:18][CH2:27][CH2:35][CH:50]1[CH:51]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:23][CH2:30][CH2:38][C:55](=[O:64])[O:69][CH2:42][CH:45]([CH2:43][O:70][C:56]([CH2:39][CH2:31][CH2:24][CH2:17][CH2:22][CH2:29][CH2:37][CH:52]2[CH:53]([CH2:41][CH:49]([CH:47]([CH2:33][CH2:7][CH2:5][CH3:2])[OH:59])[OH:61])[O:73]2)=[O:65])[O:71][C:58]([CH:48]([CH2:34][CH2:26][CH2:20][CH2:15][CH2:13][CH2:11][CH:9]=[CH:10][CH2:12][CH2:14][CH2:19][CH2:25][CH2:32][CH:44]([CH3:3])[CH:46]([CH2:40][C:54](=[O:62])[OH:63])[C:57](=[O:66])[OH:67])[OH:60])=[O:68])[O:72]1 |
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