| Properties | Image |
|---|
| MNX_ID | MNXM1195359 |
 |
| reference | envipathM:...51bc45918d4e |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | MLJOKXXABCOLGN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-15-23-33-47-48(66-47)34-24-17-13-20-26-36-51(59)63-41-44(65-53(61)38-28-19-12-10-8-7-9-11-16-22-31-43(56)30-4-2)42-64-52(60)37-27-21-14-18-25-35-49-50(67-49)40-46(58)54(62)45(57)32-29-39-55/h9,11,15,22-23,31,43-44,46-50,54-56,58,62H,3-8,10,12-14,16-21,24-30,32-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(=O)CCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-15-23-33-47-48(66-47)34-24-17-13-20-26-36-51(59)63-41-44(65-53(61)38-28-19-12-10-8-7-9-11-16-22-31-43(56)30-4-2)42-64-52(60)37-27-21-14-18-25-35-49-50(67-49)40-46(58)54(62)45(57)32-29-39-55/h9,11,15,22-23,31,43-44,46-50,54-56,58,62H,3-8,10,12-14,16-21,24-30,32-42H2,1-2H3/b11-9?,23-15?,31-22?/t43?,44?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:15]=[CH:23][CH2:33][CH:47]1[CH:48]([CH2:34][CH2:24][CH2:17][CH2:13][CH2:20][CH2:26][CH2:36][C:51](=[O:59])[O:63][CH2:41][CH:44]([CH2:42][O:64][C:52]([CH2:37][CH2:27][CH2:21][CH2:14][CH2:18][CH2:25][CH2:35][CH:49]2[CH:50]([CH2:40][CH:46]([CH:54]([C:45]([CH2:32][CH2:29][CH2:39][OH:55])=[O:57])[OH:62])[OH:58])[O:67]2)=[O:60])[O:65][C:53]([CH2:38][CH2:28][CH2:19][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:16][CH:22]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])=[O:61])[O:66]1 |
|