| Properties | Image |
|---|
| MNX_ID | MNXM1197516 |
 |
| reference | envipathM:...9e70db0447a1 |
| formula | C57H97O13 |
| global charge | -1 |
| mol weight | 990.39 |
| InChIKey | LWPBDPMIOQPNHA-UHFFFAOYSA-M |
| InChI | InChI=1S/C57H98O13/c1-4-6-33-50-52(69-50)41-53-51(70-53)35-25-19-16-22-27-38-56(63)66-43-46(42-65-55(62)37-26-21-15-18-24-34-48-49(68-48)36-29-32-45(58)30-5-2)67-57(64)39-28-20-14-12-10-8-7-9-11-13-17-23-31-44(3)47(59)40-54(60)61/h7,9,29,32,44-53,58-59H,4-6,8,10-28,30-31,33-43H2,1-3H3,(H,60,61)/p-1 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCCCCCC(C)C(O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C57H98O13/c1-4-6-33-50-52(69-50)41-53-51(70-53)35-25-19-16-22-27-38-56(63)66-43-46(42-65-55(62)37-26-21-15-18-24-34-48-49(68-48)36-29-32-45(58)30-5-2)67-57(64)39-28-20-14-12-10-8-7-9-11-13-17-23-31-44(3)47(59)40-54(60)61/h7,9,29,32,44-53,58-59H,4-6,8,10-28,30-31,33-43H2,1-3H3,(H,60,61)/b9-7?,32-29?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:33][CH:50]1[CH:52]([CH2:41][CH:53]2[CH:51]([CH2:35][CH2:25][CH2:19][CH2:16][CH2:22][CH2:27][CH2:38][C:56](=[O:63])[O:66][CH2:43][CH:46]([CH2:42][O:65][C:55]([CH2:37][CH2:26][CH2:21][CH2:15][CH2:18][CH2:24][CH2:34][CH:48]3[CH:49]([CH2:36][CH:29]=[CH:32][CH:45]([CH2:30][CH2:5][CH3:2])[OH:58])[O:68]3)=[O:62])[O:67][C:57]([CH2:39][CH2:28][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH:7]=[CH:9][CH2:11][CH2:13][CH2:17][CH2:23][CH2:31][CH:44]([CH3:3])[CH:47]([CH2:40][C:54](=[O:60])[OH:61])[OH:59])=[O:64])[O:70]2)[O:69]1 |
|