| Properties | Image |
|---|
| MNX_ID | MNXM1187360 |
 |
| reference | envipathM:...3dc27f8b30e9 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | XJUNOJURQXAHSQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-22-31-43(56)32-23-14-9-8-10-18-29-39-51(60)65-44(41-63-49(58)37-27-19-11-15-24-34-46-47(66-46)35-25-17-13-21-30-40-55)42-64-50(59)38-28-20-12-16-26-36-48-54(67-48)53(62)52(61)45(57)33-6-4-2/h17,22-23,25,31-32,40,43-48,52-54,56-57,61-62H,3-16,18-21,24,26-30,33-39,41-42H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-22-31-43(56)32-23-14-9-8-10-18-29-39-51(60)65-44(41-63-49(58)37-27-19-11-15-24-34-46-47(66-46)35-25-17-13-21-30-40-55)42-64-50(59)38-28-20-12-16-26-36-48-54(67-48)53(62)52(61)45(57)33-6-4-2/h17,22-23,25,31-32,40,43-48,52-54,56-57,61-62H,3-16,18-21,24,26-30,33-39,41-42H2,1-2H3/b25-17?,31-22?,32-23?/t43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:22]=[CH:31][CH:43]([CH:32]=[CH:23][CH2:14][CH2:9][CH2:8][CH2:10][CH2:18][CH2:29][CH2:39][C:51](=[O:60])[O:65][CH:44]([CH2:41][O:63][C:49]([CH2:37][CH2:27][CH2:19][CH2:11][CH2:15][CH2:24][CH2:34][CH:46]1[CH:47]([CH2:35][CH:25]=[CH:17][CH2:13][CH2:21][CH2:30][CH:40]=[O:55])[O:66]1)=[O:58])[CH2:42][O:64][C:50]([CH2:38][CH2:28][CH2:20][CH2:12][CH2:16][CH2:26][CH2:36][CH:48]1[CH:54]([CH:53]([CH:52]([CH:45]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:57])[OH:61])[OH:62])[O:67]1)=[O:59])[OH:56] |
|