| Properties | Image |
|---|
| MNX_ID | MNXM1171080 |
 |
| reference | envipathM:...9cf28f2b31b8 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | SWIHIVZLCXAWHS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-13-21-29-42(55)38-43(56)30-22-17-20-28-37-53(59)63-44(40-61-52(58)36-27-16-12-15-25-34-47-46(64-47)33-24-14-11-8-5-2)41-62-54(60)45(57)31-23-18-19-26-35-49-51(66-49)39-50-48(65-50)32-9-6-3/h13-14,21,24,44-51,57H,4-12,15-20,22-23,25-41H2,1-3H3 |
| SMILES | CCCCC=CCC(=O)CC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-13-21-29-42(55)38-43(56)30-22-17-20-28-37-53(59)63-44(40-61-52(58)36-27-16-12-15-25-34-47-46(64-47)33-24-14-11-8-5-2)41-62-54(60)45(57)31-23-18-19-26-35-49-51(66-49)39-50-48(65-50)32-9-6-3/h13-14,21,24,44-51,57H,4-12,15-20,22-23,25-41H2,1-3H3/b21-13?,24-14?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:13]=[CH:21][CH2:29][C:42]([CH2:38][C:43]([CH2:30][CH2:22][CH2:17][CH2:20][CH2:28][CH2:37][C:53](=[O:59])[O:63][CH:44]([CH2:40][O:61][C:52]([CH2:36][CH2:27][CH2:16][CH2:12][CH2:15][CH2:25][CH2:34][CH:47]1[CH:46]([CH2:33][CH:24]=[CH:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)=[O:58])[CH2:41][O:62][C:54]([CH:45]([CH2:31][CH2:23][CH2:18][CH2:19][CH2:26][CH2:35][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:32][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:57])=[O:60])=[O:56])=[O:55] |
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