| Properties | Image |
|---|
| MNX_ID | MNXM1172193 |
 |
| reference | envipathM:...ec363ecb4773 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | MJGQPHWJSINVBX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-12-23-33-46-47(64-46)34-24-13-10-15-26-36-52(58)61-40-43(63-54(60)38-28-18-17-20-29-42(55)30-21-19-22-31-45(57)44(56)6-3)41-62-53(59)37-27-16-11-14-25-35-49-51(66-49)39-50-48(65-50)32-8-5-2/h12,22-23,31,43-51,56-57H,4-11,13-21,24-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(=O)CCCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-12-23-33-46-47(64-46)34-24-13-10-15-26-36-52(58)61-40-43(63-54(60)38-28-18-17-20-29-42(55)30-21-19-22-31-45(57)44(56)6-3)41-62-53(59)37-27-16-11-14-25-35-49-51(66-49)39-50-48(65-50)32-8-5-2/h12,22-23,31,43-51,56-57H,4-11,13-21,24-30,32-41H2,1-3H3/b23-12?,31-22?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:12]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:13][CH2:10][CH2:15][CH2:26][CH2:36][C:52](=[O:58])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:53]([CH2:37][CH2:27][CH2:16][CH2:11][CH2:14][CH2:25][CH2:35][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:32][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:63][C:54]([CH2:38][CH2:28][CH2:18][CH2:17][CH2:20][CH2:29][C:42]([CH2:30][CH2:21][CH2:19][CH:22]=[CH:31][CH:45]([CH:44]([CH2:6][CH3:3])[OH:56])[OH:57])=[O:55])=[O:60])[O:64]1 |
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