| Properties | Image |
|---|
| MNX_ID | MNXM1172961 |
 |
| reference | envipathM:...872356f95ffa |
| formula | C58H98O16 |
| global charge | -2 |
| mol weight | 1051.406 |
| InChIKey | YTHLWIJTKGGQSD-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O16/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-30-38-55(66)72-44(42-71-58(69)48(61)34-26-19-21-27-35-50-52(73-50)40-49(62)46(59)32-7-5-2)41-70-54(65)37-29-22-20-25-33-47(60)56-51(74-56)36-28-23-24-31-43(3)45(57(67)68)39-53(63)64/h9-10,12-13,43-52,56,59-62H,4-8,11,14-42H2,1-3H3,(H,63,64)(H,67,68)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H100O16/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-30-38-55(66)72-44(42-71-58(69)48(61)34-26-19-21-27-35-50-52(73-50)40-49(62)46(59)32-7-5-2)41-70-54(65)37-29-22-20-25-33-47(60)56-51(74-56)36-28-23-24-31-43(3)45(57(67)68)39-53(63)64/h9-10,12-13,43-52,56,59-62H,4-8,11,14-42H2,1-3H3,(H,63,64)(H,67,68)/b10-9?,13-12?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,56? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:30][CH2:38][C:55](=[O:66])[O:72][CH:44]([CH2:41][O:70][C:54]([CH2:37][CH2:29][CH2:22][CH2:20][CH2:25][CH2:33][CH:47]([CH:56]1[CH:51]([CH2:36][CH2:28][CH2:23][CH2:24][CH2:31][CH:43]([CH3:3])[CH:45]([CH2:39][C:53](=[O:63])[OH:64])[C:57](=[O:67])[OH:68])[O:74]1)[OH:60])=[O:65])[CH2:42][O:71][C:58]([CH:48]([CH2:34][CH2:26][CH2:19][CH2:21][CH2:27][CH2:35][CH:50]1[CH:52]([CH2:40][CH:49]([CH:46]([CH2:32][CH2:7][CH2:5][CH3:2])[OH:59])[OH:62])[O:73]1)[OH:61])=[O:69] |
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