| Properties | Image |
|---|
| MNX_ID | MNXM1176245 |
 |
| reference | envipathM:...33a96feaf73b |
| formula | C58H96O14 |
| global charge | -2 |
| mol weight | 1017.392 |
| InChIKey | LAFBVATTZNCAGJ-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O14/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-39-57(64)69-46(44-68-56(63)38-28-21-16-18-25-35-50-52(71-50)42-53-51(72-53)36-30-31-40-59)43-67-55(62)37-27-20-15-17-24-33-48-49(70-48)34-26-22-23-32-45(2)47(58(65)66)41-54(60)61/h6-7,40,45-53H,3-5,8-39,41-44H2,1-2H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1CCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C58H98O14/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-39-57(64)69-46(44-68-56(63)38-28-21-16-18-25-35-50-52(71-50)42-53-51(72-53)36-30-31-40-59)43-67-55(62)37-27-20-15-17-24-33-48-49(70-48)34-26-22-23-32-45(2)47(58(65)66)41-54(60)61/h6-7,40,45-53H,3-5,8-39,41-44H2,1-2H3,(H,60,61)(H,65,66)/b7-6?/t45?,46?,47?,48?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH:6]=[CH:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:19][CH2:29][CH2:39][C:57](=[O:64])[O:69][CH:46]([CH2:43][O:67][C:55]([CH2:37][CH2:27][CH2:20][CH2:15][CH2:17][CH2:24][CH2:33][CH:48]1[CH:49]([CH2:34][CH2:26][CH2:22][CH2:23][CH2:32][CH:45]([CH3:2])[CH:47]([CH2:41][C:54](=[O:60])[OH:61])[C:58](=[O:65])[OH:66])[O:70]1)=[O:62])[CH2:44][O:68][C:56]([CH2:38][CH2:28][CH2:21][CH2:16][CH2:18][CH2:25][CH2:35][CH:50]1[CH:52]([CH2:42][CH:53]2[CH:51]([CH2:36][CH2:30][CH2:31][CH:40]=[O:59])[O:72]2)[O:71]1)=[O:63] |
|