| Properties | Image |
|---|
| MNX_ID | MNXM1173689 |
 |
| reference | envipathM:...3d2d63b668b7 |
| formula | C57H97O13 |
| global charge | -1 |
| mol weight | 990.39 |
| InChIKey | ZNBYYFACXMSVEO-UHFFFAOYSA-M |
| InChI | InChI=1S/C57H98O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-57(64)67-46(44-66-56(63)38-30-23-18-20-27-36-51-53(70-51)41-52-50(69-52)33-6-4-2)43-65-55(62)37-29-22-17-19-26-34-48-49(68-48)35-28-24-25-32-45(42-58)47(59)40-54(60)61/h8-9,11-12,45-53,58-59H,3-7,10,13-44H2,1-2H3,(H,60,61)/p-1 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(CO)C(O)CC(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H98O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-57(64)67-46(44-66-56(63)38-30-23-18-20-27-36-51-53(70-51)41-52-50(69-52)33-6-4-2)43-65-55(62)37-29-22-17-19-26-34-48-49(68-48)35-28-24-25-32-45(42-58)47(59)40-54(60)61/h8-9,11-12,45-53,58-59H,3-7,10,13-44H2,1-2H3,(H,60,61)/b9-8?,12-11?/t45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:31][CH2:39][C:57](=[O:64])[O:67][CH:46]([CH2:43][O:65][C:55]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:26][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:28][CH2:24][CH2:25][CH2:32][CH:45]([CH2:42][OH:58])[CH:47]([CH2:40][C:54](=[O:60])[OH:61])[OH:59])[O:68]1)=[O:62])[CH2:44][O:66][C:56]([CH2:38][CH2:30][CH2:23][CH2:18][CH2:20][CH2:27][CH2:36][CH:51]1[CH:53]([CH2:41][CH:52]2[CH:50]([CH2:33][CH2:6][CH2:4][CH3:2])[O:69]2)[O:70]1)=[O:63] |
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