| Properties | Image |
|---|
| MNX_ID | MNXM1181080 |
 |
| reference | envipathM:...5e0919347346 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | KJSUPGKQQSIZLG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-17-26-35-46-53(66-46)45(57)34-25-22-23-29-38-49(59)64-41-43(65-50(60)39-30-20-15-13-11-10-12-14-18-24-32-42(55)31-6-3)40-63-48(58)37-28-21-16-19-27-36-47-54(67-47)52(62)51(61)44(56)33-8-5-2/h12,14,17,24,26,32,42-47,51,53-57,61H,4-11,13,15-16,18-23,25,27-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(=O)C(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-17-26-35-46-53(66-46)45(57)34-25-22-23-29-38-49(59)64-41-43(65-50(60)39-30-20-15-13-11-10-12-14-18-24-32-42(55)31-6-3)40-63-48(58)37-28-21-16-19-27-36-47-54(67-47)52(62)51(61)44(56)33-8-5-2/h12,14,17,24,26,32,42-47,51,53-57,61H,4-11,13,15-16,18-23,25,27-31,33-41H2,1-3H3/b14-12?,26-17?,32-24?/t42?,43?,44?,45?,46?,47?,51?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:26][CH2:35][CH:46]1[CH:53]([CH:45]([CH2:34][CH2:25][CH2:22][CH2:23][CH2:29][CH2:38][C:49](=[O:59])[O:64][CH2:41][CH:43]([CH2:40][O:63][C:48]([CH2:37][CH2:28][CH2:21][CH2:16][CH2:19][CH2:27][CH2:36][CH:47]2[CH:54]([C:52]([CH:51]([CH:44]([CH2:33][CH2:8][CH2:5][CH3:2])[OH:56])[OH:61])=[O:62])[O:67]2)=[O:58])[O:65][C:50]([CH2:39][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:24]=[CH:32][CH:42]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:60])[OH:57])[O:66]1 |
|