| Properties | Image |
|---|
| MNX_ID | MNXM1177911 |
 |
| reference | envipathM:...770c5173ae8b |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | IDZZPSDDAWGCOX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-22-27-34-44(56)51(60)54(62)65-42(40-63-48(57)38-31-25-19-23-29-36-46-45(66-46)35-28-21-11-8-5-2)41-64-49(58)39-32-26-20-24-30-37-47-53(67-47)52(61)50(59)43(55)33-9-6-3/h12-13,15-16,21,28,42-47,51-53,55-56,60-61H,4-11,14,17-20,22-27,29-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1C(O)C(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-22-27-34-44(56)51(60)54(62)65-42(40-63-48(57)38-31-25-19-23-29-36-46-45(66-46)35-28-21-11-8-5-2)41-64-49(58)39-32-26-20-24-30-37-47-53(67-47)52(61)50(59)43(55)33-9-6-3/h12-13,15-16,21,28,42-47,51-53,55-56,60-61H,4-11,14,17-20,22-27,29-41H2,1-3H3/b13-12?,16-15?,28-21?/t42?,43?,44?,45?,46?,47?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:22][CH2:27][CH2:34][CH:44]([CH:51]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:48]([CH2:38][CH2:31][CH2:25][CH2:19][CH2:23][CH2:29][CH2:36][CH:46]1[CH:45]([CH2:35][CH:28]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:57])[CH2:41][O:64][C:49]([CH2:39][CH2:32][CH2:26][CH2:20][CH2:24][CH2:30][CH2:37][CH:47]1[CH:53]([CH:52]([C:50]([CH:43]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:55])=[O:59])[OH:61])[O:67]1)=[O:58])[OH:60])[OH:56] |
|