| Properties | Image |
|---|
| MNX_ID | MNXM1195471 |
 |
| reference | envipathM:...dc06ebd6c6e5 |
| formula | C58H100O16 |
| global charge | -2 |
| mol weight | 1053.422 |
| InChIKey | BWHMEXKCPGJUBA-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H102O16/c1-4-6-8-18-28-36-52-57(74-52)49(61)35-27-23-24-30-38-55(67)72-43-45(42-71-54(66)37-29-22-17-20-26-34-48(60)51(63)41-50(62)47(59)33-7-5-2)73-56(68)39-31-21-16-14-12-10-9-11-13-15-19-25-32-44(3)46(58(69)70)40-53(64)65/h9,11,18,28,44-52,57,59-63H,4-8,10,12-17,19-27,29-43H2,1-3H3,(H,64,65)(H,69,70)/p-2 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H102O16/c1-4-6-8-18-28-36-52-57(74-52)49(61)35-27-23-24-30-38-55(67)72-43-45(42-71-54(66)37-29-22-17-20-26-34-48(60)51(63)41-50(62)47(59)33-7-5-2)73-56(68)39-31-21-16-14-12-10-9-11-13-15-19-25-32-44(3)46(58(69)70)40-53(64)65/h9,11,18,28,44-52,57,59-63H,4-8,10,12-17,19-27,29-43H2,1-3H3,(H,64,65)(H,69,70)/b11-9?,28-18?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,57? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:18]=[CH:28][CH2:36][CH:52]1[CH:57]([CH:49]([CH2:35][CH2:27][CH2:23][CH2:24][CH2:30][CH2:38][C:55](=[O:67])[O:72][CH2:43][CH:45]([CH2:42][O:71][C:54]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:20][CH2:26][CH2:34][CH:48]([CH:51]([CH2:41][CH:50]([CH:47]([CH2:33][CH2:7][CH2:5][CH3:2])[OH:59])[OH:62])[OH:63])[OH:60])=[O:66])[O:73][C:56]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:9]=[CH:11][CH2:13][CH2:15][CH2:19][CH2:25][CH2:32][CH:44]([CH3:3])[CH:46]([CH2:40][C:53](=[O:64])[OH:65])[C:58](=[O:69])[OH:70])=[O:68])[OH:61])[O:74]1 |
|