| Properties | Image |
|---|
| MNX_ID | MNXM1180756 |
 |
| reference | envipathM:...941f5cf9563b |
| formula | C58H94O15 |
| global charge | -2 |
| mol weight | 1031.375 |
| InChIKey | OGHLGSOOEMSXLE-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H96O15/c1-3-29-45(60)31-28-35-49-48(71-49)32-21-15-12-18-23-36-55(63)68-42-46(43-69-56(64)37-24-19-13-16-22-33-50-52(72-50)41-53-51(73-53)34-26-27-39-59)70-57(65)38-25-17-11-9-7-5-4-6-8-10-14-20-30-44(2)47(58(66)67)40-54(61)62/h4,6,28,31,44,46-53,59H,3,5,7-27,29-30,32-43H2,1-2H3,(H,61,62)(H,66,67)/p-2 |
| SMILES | CCCC(=O)C=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H96O15/c1-3-29-45(60)31-28-35-49-48(71-49)32-21-15-12-18-23-36-55(63)68-42-46(43-69-56(64)37-24-19-13-16-22-33-50-52(72-50)41-53-51(73-53)34-26-27-39-59)70-57(65)38-25-17-11-9-7-5-4-6-8-10-14-20-30-44(2)47(58(66)67)40-54(61)62/h4,6,28,31,44,46-53,59H,3,5,7-27,29-30,32-43H2,1-2H3,(H,61,62)(H,66,67)/b6-4?,31-28?/t44?,46?,47?,48?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:29][C:45]([CH:31]=[CH:28][CH2:35][CH:49]1[CH:48]([CH2:32][CH2:21][CH2:15][CH2:12][CH2:18][CH2:23][CH2:36][C:55](=[O:63])[O:68][CH2:42][CH:46]([CH2:43][O:69][C:56]([CH2:37][CH2:24][CH2:19][CH2:13][CH2:16][CH2:22][CH2:33][CH:50]2[CH:52]([CH2:41][CH:53]3[CH:51]([CH2:34][CH2:26][CH2:27][CH2:39][OH:59])[O:73]3)[O:72]2)=[O:64])[O:70][C:57]([CH2:38][CH2:25][CH2:17][CH2:11][CH2:9][CH2:7][CH2:5][CH:4]=[CH:6][CH2:8][CH2:10][CH2:14][CH2:20][CH2:30][CH:44]([CH3:2])[CH:47]([CH2:40][C:54](=[O:61])[OH:62])[C:58](=[O:66])[OH:67])=[O:65])[O:71]1)=[O:60] |
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