| Properties | Image |
|---|
| MNX_ID | MNXM1188152 |
 |
| reference | envipathM:...ab2baa1c6d61 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | SYJUZFJVQKIYNH-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-8-24-31-45(59)55-48(73-55)34-26-18-17-20-27-35-52(63)69-41-43(42-70-53(64)36-28-22-21-25-32-46(60)56-50(74-56)40-49-47(72-49)33-7-5-2)71-54(65)37-29-19-15-13-11-9-10-12-14-16-23-30-38-58(3,68)44(57(66)67)39-51(61)62/h10,12,24,31,43-50,55-56,59-60,68H,4-9,11,13-23,25-30,32-42H2,1-3H3,(H,61,62)(H,66,67)/p-2 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCC(C)(O)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-8-24-31-45(59)55-48(73-55)34-26-18-17-20-27-35-52(63)69-41-43(42-70-53(64)36-28-22-21-25-32-46(60)56-50(74-56)40-49-47(72-49)33-7-5-2)71-54(65)37-29-19-15-13-11-9-10-12-14-16-23-30-38-58(3,68)44(57(66)67)39-51(61)62/h10,12,24,31,43-50,55-56,59-60,68H,4-9,11,13-23,25-30,32-42H2,1-3H3,(H,61,62)(H,66,67)/b12-10?,31-24?/t43?,44?,45?,46?,47?,48?,49?,50?,55?,56?,58? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:24]=[CH:31][CH:45]([CH:55]1[CH:48]([CH2:34][CH2:26][CH2:18][CH2:17][CH2:20][CH2:27][CH2:35][C:52](=[O:63])[O:69][CH2:41][CH:43]([CH2:42][O:70][C:53]([CH2:36][CH2:28][CH2:22][CH2:21][CH2:25][CH2:32][CH:46]([CH:56]2[CH:50]([CH2:40][CH:49]3[CH:47]([CH2:33][CH2:7][CH2:5][CH3:2])[O:72]3)[O:74]2)[OH:60])=[O:64])[O:71][C:54]([CH2:37][CH2:29][CH2:19][CH2:15][CH2:13][CH2:11][CH2:9][CH:10]=[CH:12][CH2:14][CH2:16][CH2:23][CH2:30][CH2:38][C:58]([CH3:3])([CH:44]([CH2:39][C:51](=[O:61])[OH:62])[C:57](=[O:66])[OH:67])[OH:68])=[O:65])[O:73]1)[OH:59] |
|