| Properties | Image |
|---|
| MNX_ID | MNXM1173087 |
 |
| reference | envipathM:...1453b12cf451 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | PWISZFKQQCRYNI-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-4-32-47-50(72-47)41-51-48(73-51)33-24-15-13-18-26-35-53(63)69-42-44(43-70-54(64)36-27-19-14-16-25-34-49-56(74-49)46(60)31-23-20-22-30-39-59)71-55(65)37-28-17-11-9-7-5-6-8-10-12-21-29-38-58(2,68)45(57(66)67)40-52(61)62/h6,8,23,31,44-51,56,59-60,68H,3-5,7,9-22,24-30,32-43H2,1-2H3,(H,61,62)(H,66,67)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCCO)OC(=O)CCCCCCCC=CCCCCCC(C)(O)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-4-32-47-50(72-47)41-51-48(73-51)33-24-15-13-18-26-35-53(63)69-42-44(43-70-54(64)36-27-19-14-16-25-34-49-56(74-49)46(60)31-23-20-22-30-39-59)71-55(65)37-28-17-11-9-7-5-6-8-10-12-21-29-38-58(2,68)45(57(66)67)40-52(61)62/h6,8,23,31,44-51,56,59-60,68H,3-5,7,9-22,24-30,32-43H2,1-2H3,(H,61,62)(H,66,67)/b8-6?,31-23?/t44?,45?,46?,47?,48?,49?,50?,51?,56?,58? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:32][CH:47]1[CH:50]([CH2:41][CH:51]2[CH:48]([CH2:33][CH2:24][CH2:15][CH2:13][CH2:18][CH2:26][CH2:35][C:53](=[O:63])[O:69][CH2:42][CH:44]([CH2:43][O:70][C:54]([CH2:36][CH2:27][CH2:19][CH2:14][CH2:16][CH2:25][CH2:34][CH:49]3[CH:56]([CH:46]([CH:31]=[CH:23][CH2:20][CH2:22][CH2:30][CH2:39][OH:59])[OH:60])[O:74]3)=[O:64])[O:71][C:55]([CH2:37][CH2:28][CH2:17][CH2:11][CH2:9][CH2:7][CH2:5][CH:6]=[CH:8][CH2:10][CH2:12][CH2:21][CH2:29][CH2:38][C:58]([CH3:2])([CH:45]([CH2:40][C:52](=[O:61])[OH:62])[C:57](=[O:66])[OH:67])[OH:68])=[O:65])[O:73]2)[O:72]1 |
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