| Properties | Image |
|---|
| MNX_ID | MNXM1138429 |
 |
| reference | envipathM:...bfaf3593cbde |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | PVBUKVQBQJKYCF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-16-24-32-46-47(64-46)33-25-18-14-21-27-35-52(58)61-41-45(63-54(60)37-29-20-13-11-9-8-10-12-17-23-30-43(56)38-44(57)40-55)42-62-53(59)36-28-22-15-19-26-34-49-51(66-49)39-50-48(65-50)31-6-4-2/h10,12,16,23-24,30,44-51,55,57H,3-9,11,13-15,17-22,25-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(=O)CC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-16-24-32-46-47(64-46)33-25-18-14-21-27-35-52(58)61-41-45(63-54(60)37-29-20-13-11-9-8-10-12-17-23-30-43(56)38-44(57)40-55)42-62-53(59)36-28-22-15-19-26-34-49-51(66-49)39-50-48(65-50)31-6-4-2/h10,12,16,23-24,30,44-51,55,57H,3-9,11,13-15,17-22,25-29,31-42H2,1-2H3/b12-10?,24-16?,30-23?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:16]=[CH:24][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:25][CH2:18][CH2:14][CH2:21][CH2:27][CH2:35][C:52](=[O:58])[O:61][CH2:41][CH:45]([CH2:42][O:62][C:53]([CH2:36][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:34][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:31][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:63][C:54]([CH2:37][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:17][CH:23]=[CH:30][C:43]([CH2:38][CH:44]([CH2:40][OH:55])[OH:57])=[O:56])=[O:60])[O:64]1 |
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