| Properties | Image |
|---|
| MNX_ID | MNXM1171861 |
 |
| reference | envipathM:...50426144a684 |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | YFJFKORITZKCMH-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-3-5-7-17-27-35-50-57(73-50)47(60)32-25-22-23-29-37-55(64)69-43-45(42-68-54(63)36-28-21-16-19-26-34-49-52(72-49)40-51-48(71-51)33-6-4-2)70-56(65)38-30-20-15-13-11-9-8-10-12-14-18-24-31-44(41-59)46(58(66)67)39-53(61)62/h8,10,17,27,44-52,57,59-60H,3-7,9,11-16,18-26,28-43H2,1-2H3,(H,61,62)(H,66,67)/p-2 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCC(CO)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-3-5-7-17-27-35-50-57(73-50)47(60)32-25-22-23-29-37-55(64)69-43-45(42-68-54(63)36-28-21-16-19-26-34-49-52(72-49)40-51-48(71-51)33-6-4-2)70-56(65)38-30-20-15-13-11-9-8-10-12-14-18-24-31-44(41-59)46(58(66)67)39-53(61)62/h8,10,17,27,44-52,57,59-60H,3-7,9,11-16,18-26,28-43H2,1-2H3,(H,61,62)(H,66,67)/b10-8?,27-17?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,57? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:17]=[CH:27][CH2:35][CH:50]1[CH:57]([CH:47]([CH2:32][CH2:25][CH2:22][CH2:23][CH2:29][CH2:37][C:55](=[O:64])[O:69][CH2:43][CH:45]([CH2:42][O:68][C:54]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:19][CH2:26][CH2:34][CH:49]2[CH:52]([CH2:40][CH:51]3[CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[O:71]3)[O:72]2)=[O:63])[O:70][C:56]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:8]=[CH:10][CH2:12][CH2:14][CH2:18][CH2:24][CH2:31][CH:44]([CH2:41][OH:59])[CH:46]([CH2:39][C:53](=[O:61])[OH:62])[C:58](=[O:66])[OH:67])=[O:65])[OH:60])[O:73]1 |
|