| Properties | Image |
|---|
| MNX_ID | MNXM1191777 |
 |
| reference | envipathM:...ab235ed36721 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | NDRGQTFBIXHGAG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-33-46-49(64-46)40-50-47(65-50)34-24-15-12-18-26-36-51(58)61-41-44(63-53(60)38-28-17-11-9-7-6-8-10-14-22-31-43(56)30-4-2)42-62-52(59)37-27-20-19-23-32-45(57)54-48(66-54)35-25-16-13-21-29-39-55/h8,10,22,31,44-50,54-55,57H,3-7,9,11-21,23-30,32-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CCCCCCCO)OC(=O)CCCCCCCC=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-33-46-49(64-46)40-50-47(65-50)34-24-15-12-18-26-36-51(58)61-41-44(63-53(60)38-28-17-11-9-7-6-8-10-14-22-31-43(56)30-4-2)42-62-52(59)37-27-20-19-23-32-45(57)54-48(66-54)35-25-16-13-21-29-39-55/h8,10,22,31,44-50,54-55,57H,3-7,9,11-21,23-30,32-42H2,1-2H3/b10-8?,31-22?/t44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:46]1[CH:49]([CH2:40][CH:50]2[CH:47]([CH2:34][CH2:24][CH2:15][CH2:12][CH2:18][CH2:26][CH2:36][C:51](=[O:58])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:52]([CH2:37][CH2:27][CH2:20][CH2:19][CH2:23][CH2:32][CH:45]([CH:54]3[CH:48]([CH2:35][CH2:25][CH2:16][CH2:13][CH2:21][CH2:29][CH2:39][OH:55])[O:66]3)[OH:57])=[O:59])[O:63][C:53]([CH2:38][CH2:28][CH2:17][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:14][CH:22]=[CH:31][C:43]([CH2:30][CH2:4][CH3:2])=[O:56])=[O:60])[O:65]2)[O:64]1 |
|