| Properties | Image |
|---|
| MNX_ID | MNXM1184681 |
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| reference | envipathM:...817b4b2ae387 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | BYGOADLIKJBWRQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-13-24-33-48-54(66-48)45(57)30-22-17-19-26-35-52(59)62-41-44(63-53(60)36-27-18-16-21-29-43(56)38-37-42(55)28-20-11-8-5-2)40-61-51(58)34-25-15-12-14-23-32-47-50(65-47)39-49-46(64-49)31-9-6-3/h20,28,37-38,43-50,54,56-57H,4-19,21-27,29-36,39-41H2,1-3H3 |
| SMILES | CCCCC=CC(=O)C=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-13-24-33-48-54(66-48)45(57)30-22-17-19-26-35-52(59)62-41-44(63-53(60)36-27-18-16-21-29-43(56)38-37-42(55)28-20-11-8-5-2)40-61-51(58)34-25-15-12-14-23-32-47-50(65-47)39-49-46(64-49)31-9-6-3/h20,28,37-38,43-50,54,56-57H,4-19,21-27,29-36,39-41H2,1-3H3/b28-20?,38-37?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:24][CH2:33][CH:48]1[CH:54]([CH:45]([CH2:30][CH2:22][CH2:17][CH2:19][CH2:26][CH2:35][C:52](=[O:59])[O:62][CH2:41][CH:44]([CH2:40][O:61][C:51]([CH2:34][CH2:25][CH2:15][CH2:12][CH2:14][CH2:23][CH2:32][CH:47]2[CH:50]([CH2:39][CH:49]3[CH:46]([CH2:31][CH2:9][CH2:6][CH3:3])[O:64]3)[O:65]2)=[O:58])[O:63][C:53]([CH2:36][CH2:27][CH2:18][CH2:16][CH2:21][CH2:29][CH:43]([CH:38]=[CH:37][C:42]([CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[OH:56])=[O:60])[OH:57])[O:66]1 |
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