| Properties | Image |
|---|
| MNX_ID | MNXM1194913 |
 |
| reference | envipathM:...7328ee45f3eb |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | AUPLFOWRNRYODO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-33-48-49(65-48)40-50-54(66-50)45(57)32-23-19-20-27-37-52(59)62-42-44(63-53(60)38-28-17-11-9-7-6-8-10-14-22-31-43(56)30-4-2)41-61-51(58)36-26-18-12-15-24-34-46-47(64-46)35-25-16-13-21-29-39-55/h16,22,25,31,44-50,54-55,57H,3-15,17-21,23-24,26-30,32-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCCCCCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-33-48-49(65-48)40-50-54(66-50)45(57)32-23-19-20-27-37-52(59)62-42-44(63-53(60)38-28-17-11-9-7-6-8-10-14-22-31-43(56)30-4-2)41-61-51(58)36-26-18-12-15-24-34-46-47(64-46)35-25-16-13-21-29-39-55/h16,22,25,31,44-50,54-55,57H,3-15,17-21,23-24,26-30,32-42H2,1-2H3/b25-16?,31-22?/t44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:48]1[CH:49]([CH2:40][CH:50]2[CH:54]([CH:45]([CH2:32][CH2:23][CH2:19][CH2:20][CH2:27][CH2:37][C:52](=[O:59])[O:62][CH2:42][CH:44]([CH2:41][O:61][C:51]([CH2:36][CH2:26][CH2:18][CH2:12][CH2:15][CH2:24][CH2:34][CH:46]3[CH:47]([CH2:35][CH:25]=[CH:16][CH2:13][CH2:21][CH2:29][CH2:39][OH:55])[O:64]3)=[O:58])[O:63][C:53]([CH2:38][CH2:28][CH2:17][CH2:11][CH2:9][CH2:7][CH2:6][CH2:8][CH2:10][CH2:14][CH:22]=[CH:31][C:43]([CH2:30][CH2:4][CH3:2])=[O:56])=[O:60])[OH:57])[O:66]2)[O:65]1 |
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