| Properties | Image |
|---|
| MNX_ID | MNXM1197233 |
 |
| reference | envipathM:...9abd053d95a5 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | KJSDWEGIVJHVNN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-13-22-31-43(56)32-23-19-20-29-39-51(60)65-44(42-64-50(59)38-28-18-11-15-25-35-46-47(66-46)36-26-16-12-21-30-40-55)41-63-49(58)37-27-17-10-14-24-33-45(57)52(61)53(62)54-48(67-54)34-6-4-2/h8-9,16,22,26,31,44-48,52-55,57,61-62H,3-7,10-15,17-21,23-25,27-30,32-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-13-22-31-43(56)32-23-19-20-29-39-51(60)65-44(42-64-50(59)38-28-18-11-15-25-35-46-47(66-46)36-26-16-12-21-30-40-55)41-63-49(58)37-27-17-10-14-24-33-45(57)52(61)53(62)54-48(67-54)34-6-4-2/h8-9,16,22,26,31,44-48,52-55,57,61-62H,3-7,10-15,17-21,23-25,27-30,32-42H2,1-2H3/b9-8?,26-16?,31-22?/t44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:13][CH:22]=[CH:31][C:43]([CH2:32][CH2:23][CH2:19][CH2:20][CH2:29][CH2:39][C:51](=[O:60])[O:65][CH:44]([CH2:41][O:63][C:49]([CH2:37][CH2:27][CH2:17][CH2:10][CH2:14][CH2:24][CH2:33][CH:45]([CH:52]([CH:53]([CH:54]1[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:62])[OH:61])[OH:57])=[O:58])[CH2:42][O:64][C:50]([CH2:38][CH2:28][CH2:18][CH2:11][CH2:15][CH2:25][CH2:35][CH:46]1[CH:47]([CH2:36][CH:26]=[CH:16][CH2:12][CH2:21][CH2:30][CH2:40][OH:55])[O:66]1)=[O:59])=[O:56] |
|