| Properties | Image |
|---|
| MNX_ID | MNXM1173255 |
 |
| reference | envipathM:...f63ee9ed6019 |
| formula | C58H98O16 |
| global charge | -2 |
| mol weight | 1051.406 |
| InChIKey | ORALYCZWYAYSKU-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O16/c1-4-6-8-17-27-35-50-51(73-50)36-28-22-20-25-33-47(60)57(68)70-41-44(42-71-58(69)48(61)34-26-21-23-29-37-52-53(74-52)40-49(62)46(59)32-7-5-2)72-55(65)38-30-19-16-14-12-10-9-11-13-15-18-24-31-43(3)45(56(66)67)39-54(63)64/h9,11,17,27,43-53,59-62H,4-8,10,12-16,18-26,28-42H2,1-3H3,(H,63,64)(H,66,67)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H100O16/c1-4-6-8-17-27-35-50-51(73-50)36-28-22-20-25-33-47(60)57(68)70-41-44(42-71-58(69)48(61)34-26-21-23-29-37-52-53(74-52)40-49(62)46(59)32-7-5-2)72-55(65)38-30-19-16-14-12-10-9-11-13-15-18-24-31-43(3)45(56(66)67)39-54(63)64/h9,11,17,27,43-53,59-62H,4-8,10,12-16,18-26,28-42H2,1-3H3,(H,63,64)(H,66,67)/b11-9?,27-17?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:17]=[CH:27][CH2:35][CH:50]1[CH:51]([CH2:36][CH2:28][CH2:22][CH2:20][CH2:25][CH2:33][CH:47]([C:57](=[O:68])[O:70][CH2:41][CH:44]([CH2:42][O:71][C:58]([CH:48]([CH2:34][CH2:26][CH2:21][CH2:23][CH2:29][CH2:37][CH:52]2[CH:53]([CH2:40][CH:49]([CH:46]([CH2:32][CH2:7][CH2:5][CH3:2])[OH:59])[OH:62])[O:74]2)[OH:61])=[O:69])[O:72][C:55]([CH2:38][CH2:30][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH:9]=[CH:11][CH2:13][CH2:15][CH2:18][CH2:24][CH2:31][CH:43]([CH3:3])[CH:45]([CH2:39][C:54](=[O:63])[OH:64])[C:56](=[O:66])[OH:67])=[O:65])[OH:60])[O:73]1 |
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