| Properties | Image |
|---|
| MNX_ID | MNXM1185060 |
 |
| reference | envipathM:...f96c33778435 |
| formula | C58H98O15 |
| global charge | -2 |
| mol weight | 1035.407 |
| InChIKey | YLBQJOZSXQEOQE-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O15/c1-4-6-8-12-24-34-47-48(71-47)35-25-15-10-17-27-37-54(62)68-42-46(43-69-55(63)38-28-18-11-16-26-36-50-52(73-50)40-51-49(72-51)33-7-5-2)70-56(64)39-29-20-19-23-32-45(59)31-22-14-9-13-21-30-44(3)58(67,57(65)66)41-53(60)61/h22,31,44-52,59,67H,4-21,23-30,32-43H2,1-3H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCCCCCC(C)C(O)(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H100O15/c1-4-6-8-12-24-34-47-48(71-47)35-25-15-10-17-27-37-54(62)68-42-46(43-69-55(63)38-28-18-11-16-26-36-50-52(73-50)40-51-49(72-51)33-7-5-2)70-56(64)39-29-20-19-23-32-45(59)31-22-14-9-13-21-30-44(3)58(67,57(65)66)41-53(60)61/h22,31,44-52,59,67H,4-21,23-30,32-43H2,1-3H3,(H,60,61)(H,65,66)/b31-22?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,58? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:12][CH2:24][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:25][CH2:15][CH2:10][CH2:17][CH2:27][CH2:37][C:54](=[O:62])[O:68][CH2:42][CH:46]([CH2:43][O:69][C:55]([CH2:38][CH2:28][CH2:18][CH2:11][CH2:16][CH2:26][CH2:36][CH:50]2[CH:52]([CH2:40][CH:51]3[CH:49]([CH2:33][CH2:7][CH2:5][CH3:2])[O:72]3)[O:73]2)=[O:63])[O:70][C:56]([CH2:39][CH2:29][CH2:20][CH2:19][CH2:23][CH2:32][CH:45]([CH:31]=[CH:22][CH2:14][CH2:9][CH2:13][CH2:21][CH2:30][CH:44]([CH3:3])[C:58]([CH2:41][C:53](=[O:60])[OH:61])([C:57](=[O:65])[OH:66])[OH:67])[OH:59])=[O:64])[O:71]1 |
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