| Properties | Image |
|---|
| MNX_ID | MNXM1190750 |
 |
| reference | envipathM:...7da085043d3f |
| formula | C58H94O15 |
| global charge | -2 |
| mol weight | 1031.375 |
| InChIKey | IEDOIPGNEFENTE-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H96O15/c1-3-4-33-48-50(72-48)41-51-49(73-51)36-27-18-14-22-29-38-53(61)69-43-45(42-68-52(60)37-28-21-13-17-25-34-46-47(71-46)35-26-19-15-23-31-40-59)70-54(62)39-30-20-12-10-8-6-5-7-9-11-16-24-32-44(2)55(57(64)65)56(63)58(66)67/h5,7,19,26,44-51,55,59H,3-4,6,8-18,20-25,27-43H2,1-2H3,(H,64,65)(H,66,67)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCCC=CCCCCCC(C)C(C(=O)[O-])C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H96O15/c1-3-4-33-48-50(72-48)41-51-49(73-51)36-27-18-14-22-29-38-53(61)69-43-45(42-68-52(60)37-28-21-13-17-25-34-46-47(71-46)35-26-19-15-23-31-40-59)70-54(62)39-30-20-12-10-8-6-5-7-9-11-16-24-32-44(2)55(57(64)65)56(63)58(66)67/h5,7,19,26,44-51,55,59H,3-4,6,8-18,20-25,27-43H2,1-2H3,(H,64,65)(H,66,67)/b7-5?,26-19?/t44?,45?,46?,47?,48?,49?,50?,51?,55? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:33][CH:48]1[CH:50]([CH2:41][CH:51]2[CH:49]([CH2:36][CH2:27][CH2:18][CH2:14][CH2:22][CH2:29][CH2:38][C:53](=[O:61])[O:69][CH2:43][CH:45]([CH2:42][O:68][C:52]([CH2:37][CH2:28][CH2:21][CH2:13][CH2:17][CH2:25][CH2:34][CH:46]3[CH:47]([CH2:35][CH:26]=[CH:19][CH2:15][CH2:23][CH2:31][CH2:40][OH:59])[O:71]3)=[O:60])[O:70][C:54]([CH2:39][CH2:30][CH2:20][CH2:12][CH2:10][CH2:8][CH2:6][CH:5]=[CH:7][CH2:9][CH2:11][CH2:16][CH2:24][CH2:32][CH:44]([CH3:2])[CH:55]([C:56]([C:58]([OH:66])=[O:67])=[O:63])[C:57](=[O:64])[OH:65])=[O:62])[O:73]2)[O:72]1 |
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