| Properties | Image |
|---|
| MNX_ID | MNXM1172486 |
 |
| reference | envipathM:...47d0848a5952 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | ASIIGTIAYHCGTC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-8-9-13-22-31-44(56)32-23-19-20-29-39-54(63)66-45(42-64-52(61)37-27-17-10-14-24-34-46(57)47(58)35-25-15-12-21-30-40-55)43-65-53(62)38-28-18-11-16-26-36-50-51(67-50)41-49(60)48(59)33-6-4-2/h8-9,15,22,25,31,44-51,55-60H,3-7,10-14,16-21,23-24,26-30,32-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-8-9-13-22-31-44(56)32-23-19-20-29-39-54(63)66-45(42-64-52(61)37-27-17-10-14-24-34-46(57)47(58)35-25-15-12-21-30-40-55)43-65-53(62)38-28-18-11-16-26-36-50-51(67-50)41-49(60)48(59)33-6-4-2/h8-9,15,22,25,31,44-51,55-60H,3-7,10-14,16-21,23-24,26-30,32-43H2,1-2H3/b9-8?,25-15?,31-22?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:13][CH:22]=[CH:31][CH:44]([CH2:32][CH2:23][CH2:19][CH2:20][CH2:29][CH2:39][C:54](=[O:63])[O:66][CH:45]([CH2:42][O:64][C:52]([CH2:37][CH2:27][CH2:17][CH2:10][CH2:14][CH2:24][CH2:34][CH:46]([CH:47]([CH2:35][CH:25]=[CH:15][CH2:12][CH2:21][CH2:30][CH2:40][OH:55])[OH:58])[OH:57])=[O:61])[CH2:43][O:65][C:53]([CH2:38][CH2:28][CH2:18][CH2:11][CH2:16][CH2:26][CH2:36][CH:50]1[CH:51]([CH2:41][CH:49]([CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:59])[OH:60])[O:67]1)=[O:62])[OH:56] |
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