| Properties | Image |
|---|
| MNX_ID | MNXM1197681 |
 |
| reference | envipathM:...d8766d12de19 |
| formula | C58H96O14 |
| global charge | -2 |
| mol weight | 1017.392 |
| InChIKey | YKEWTVYQNXJDMQ-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O14/c1-4-6-8-9-10-11-12-13-14-15-16-17-22-29-39-56(64)69-45(42-67-54(62)37-27-23-18-20-25-35-49-52(71-49)41-51-48(70-51)34-7-5-2)43-68-55(63)38-28-24-19-21-26-36-50-57(72-50)47(59)33-31-30-32-44(3)46(58(65)66)40-53(60)61/h9-10,12-13,44-52,57,59H,4-8,11,14-43H2,1-3H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)CCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O14/c1-4-6-8-9-10-11-12-13-14-15-16-17-22-29-39-56(64)69-45(42-67-54(62)37-27-23-18-20-25-35-49-52(71-49)41-51-48(70-51)34-7-5-2)43-68-55(63)38-28-24-19-21-26-36-50-57(72-50)47(59)33-31-30-32-44(3)46(58(65)66)40-53(60)61/h9-10,12-13,44-52,57,59H,4-8,11,14-43H2,1-3H3,(H,60,61)(H,65,66)/b10-9?,13-12?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,57? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:29][CH2:39][C:56](=[O:64])[O:69][CH:45]([CH2:42][O:67][C:54]([CH2:37][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:35][CH:49]1[CH:52]([CH2:41][CH:51]2[CH:48]([CH2:34][CH2:7][CH2:5][CH3:2])[O:70]2)[O:71]1)=[O:62])[CH2:43][O:68][C:55]([CH2:38][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:36][CH:50]1[CH:57]([CH:47]([CH2:33][CH2:31][CH2:30][CH2:32][CH:44]([CH3:3])[CH:46]([CH2:40][C:53](=[O:60])[OH:61])[C:58](=[O:65])[OH:66])[OH:59])[O:72]1)=[O:63] |
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