| Properties | Image |
|---|
| MNX_ID | MNXM1197280 |
 |
| reference | envipathM:...6e15e72affb6 |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | HKXNLOIBHXULAC-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-4-6-33-50-52(72-50)40-53-51(73-53)36-24-15-13-17-27-37-54(61)68-41-45(70-55(62)38-28-16-12-10-8-7-9-11-14-22-31-44(59)29-5-2)42-69-58(67)47(60)32-23-18-19-25-34-48-49(71-48)35-26-20-21-30-43(3)39-46(56(63)64)57(65)66/h9,11,22,31,43-53,59-60H,4-8,10,12-21,23-30,32-42H2,1-3H3,(H,63,64)(H,65,66)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CCCCCC(C)CC(C(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-4-6-33-50-52(72-50)40-53-51(73-53)36-24-15-13-17-27-37-54(61)68-41-45(70-55(62)38-28-16-12-10-8-7-9-11-14-22-31-44(59)29-5-2)42-69-58(67)47(60)32-23-18-19-25-34-48-49(71-48)35-26-20-21-30-43(3)39-46(56(63)64)57(65)66/h9,11,22,31,43-53,59-60H,4-8,10,12-21,23-30,32-42H2,1-3H3,(H,63,64)(H,65,66)/b11-9?,31-22?/t43?,44?,45?,47?,48?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:33][CH:50]1[CH:52]([CH2:40][CH:53]2[CH:51]([CH2:36][CH2:24][CH2:15][CH2:13][CH2:17][CH2:27][CH2:37][C:54](=[O:61])[O:68][CH2:41][CH:45]([CH2:42][O:69][C:58]([CH:47]([CH2:32][CH2:23][CH2:18][CH2:19][CH2:25][CH2:34][CH:48]3[CH:49]([CH2:35][CH2:26][CH2:20][CH2:21][CH2:30][CH:43]([CH3:3])[CH2:39][CH:46]([C:56](=[O:63])[OH:64])[C:57](=[O:65])[OH:66])[O:71]3)[OH:60])=[O:67])[O:70][C:55]([CH2:38][CH2:28][CH2:16][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:14][CH:22]=[CH:31][CH:44]([CH2:29][CH2:5][CH3:2])[OH:59])=[O:62])[O:73]2)[O:72]1 |
|