| Properties | Image |
|---|
| MNX_ID | MNXM1191859 |
 |
| reference | envipathM:...360acef5d726 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | YJLNJJQXLCBYEO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-14-24-35-49-54(67-49)46(58)33-23-19-20-26-37-52(61)64-42-44(65-53(62)38-27-17-12-10-8-7-9-11-15-21-31-43(56)30-4-2)41-63-51(60)36-25-18-13-16-22-32-45(57)47(59)40-50-48(66-50)34-28-29-39-55/h9,11,14,21,24,31,39,43-50,54,56-59H,3-8,10,12-13,15-20,22-23,25-30,32-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC=O)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-14-24-35-49-54(67-49)46(58)33-23-19-20-26-37-52(61)64-42-44(65-53(62)38-27-17-12-10-8-7-9-11-15-21-31-43(56)30-4-2)41-63-51(60)36-25-18-13-16-22-32-45(57)47(59)40-50-48(66-50)34-28-29-39-55/h9,11,14,21,24,31,39,43-50,54,56-59H,3-8,10,12-13,15-20,22-23,25-30,32-38,40-42H2,1-2H3/b11-9?,24-14?,31-21?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:14]=[CH:24][CH2:35][CH:49]1[CH:54]([CH:46]([CH2:33][CH2:23][CH2:19][CH2:20][CH2:26][CH2:37][C:52](=[O:61])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:25][CH2:18][CH2:13][CH2:16][CH2:22][CH2:32][CH:45]([CH:47]([CH2:40][CH:50]2[CH:48]([CH2:34][CH2:28][CH2:29][CH:39]=[O:55])[O:66]2)[OH:59])[OH:57])=[O:60])[O:65][C:53]([CH2:38][CH2:27][CH2:17][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH:21]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])=[O:62])[OH:58])[O:67]1 |
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