| Properties | Image |
|---|
| MNX_ID | MNXM1174483 |
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| reference | envipathM:...fbeeed2bb132 |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | ZFGSXGCJQXWSQN-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-3-4-34-52-53(73-52)42-49(61)48(60)33-25-17-15-20-28-37-55(64)69-43-46(71-57(66)39-30-19-13-11-9-7-5-6-8-10-12-14-22-31-40-59)44-70-56(65)38-29-21-16-18-26-35-50-51(72-50)36-27-23-24-32-45(2)47(58(67)68)41-54(62)63/h5-6,10,12,45-47,49-53,59,61H,3-4,7-9,11,13-44H2,1-2H3,(H,62,63)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1CC(O)C(=O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-3-4-34-52-53(73-52)42-49(61)48(60)33-25-17-15-20-28-37-55(64)69-43-46(71-57(66)39-30-19-13-11-9-7-5-6-8-10-12-14-22-31-40-59)44-70-56(65)38-29-21-16-18-26-35-50-51(72-50)36-27-23-24-32-45(2)47(58(67)68)41-54(62)63/h5-6,10,12,45-47,49-53,59,61H,3-4,7-9,11,13-44H2,1-2H3,(H,62,63)(H,67,68)/b6-5?,12-10?/t45?,46?,47?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:34][CH:52]1[CH:53]([CH2:42][CH:49]([C:48]([CH2:33][CH2:25][CH2:17][CH2:15][CH2:20][CH2:28][CH2:37][C:55](=[O:64])[O:69][CH2:43][CH:46]([CH2:44][O:70][C:56]([CH2:38][CH2:29][CH2:21][CH2:16][CH2:18][CH2:26][CH2:35][CH:50]2[CH:51]([CH2:36][CH2:27][CH2:23][CH2:24][CH2:32][CH:45]([CH3:2])[CH:47]([CH2:41][C:54](=[O:62])[OH:63])[C:58](=[O:67])[OH:68])[O:72]2)=[O:65])[O:71][C:57]([CH2:39][CH2:30][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH:5]=[CH:6][CH2:8][CH:10]=[CH:12][CH2:14][CH2:22][CH2:31][CH2:40][OH:59])=[O:66])=[O:60])[OH:61])[O:73]1 |
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