| Properties | Image |
|---|
| MNX_ID | MNXM1188080 |
 |
| reference | envipathM:...648197dd813e |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | UHQATKDBZSHGNY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-27-34-44(56)54(60)63-42(40-61-49(57)39-32-24-20-23-30-37-46-45(64-46)36-29-21-11-8-5-2)41-62-53(59)43(55)33-28-25-26-31-38-48-52(66-48)50(58)51-47(65-51)35-9-6-3/h12-13,21,29,42,44-48,50-52,56,58H,4-11,14-20,22-28,30-41H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(=O)CCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-27-34-44(56)54(60)63-42(40-61-49(57)39-32-24-20-23-30-37-46-45(64-46)36-29-21-11-8-5-2)41-62-53(59)43(55)33-28-25-26-31-38-48-52(66-48)50(58)51-47(65-51)35-9-6-3/h12-13,21,29,42,44-48,50-52,56,58H,4-11,14-20,22-28,30-41H2,1-3H3/b13-12?,29-21?/t42?,44?,45?,46?,47?,48?,50?,51?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:27][CH2:34][CH:44]([C:54](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:49]([CH2:39][CH2:32][CH2:24][CH2:20][CH2:23][CH2:30][CH2:37][CH:46]1[CH:45]([CH2:36][CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)=[O:57])[CH2:41][O:62][C:53]([C:43]([CH2:33][CH2:28][CH2:25][CH2:26][CH2:31][CH2:38][CH:48]1[CH:52]([CH:50]([CH:51]2[CH:47]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:58])[O:66]1)=[O:55])=[O:59])[OH:56] |
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