| Properties | Image |
|---|
| MNX_ID | MNXM1195199 |
 |
| reference | envipathM:...a15e1a2712ff |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | DQJYQOOCWFJEHX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-16-26-35-45-46(64-45)36-27-18-15-20-29-38-49(57)61-40-43(63-50(58)39-30-19-14-12-13-17-24-32-42(55)31-23-11-8-5-2)41-62-54(60)44(56)33-25-21-22-28-37-48-53(66-48)51(59)52-47(65-52)34-9-6-3/h16,23-24,26,31-32,42-43,45-48,51-53,55,59H,4-15,17-22,25,27-30,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(=O)CCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-16-26-35-45-46(64-45)36-27-18-15-20-29-38-49(57)61-40-43(63-50(58)39-30-19-14-12-13-17-24-32-42(55)31-23-11-8-5-2)41-62-54(60)44(56)33-25-21-22-28-37-48-53(66-48)51(59)52-47(65-52)34-9-6-3/h16,23-24,26,31-32,42-43,45-48,51-53,55,59H,4-15,17-22,25,27-30,33-41H2,1-3H3/b26-16?,31-23?,32-24?/t42?,43?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:26][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:27][CH2:18][CH2:15][CH2:20][CH2:29][CH2:38][C:49](=[O:57])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:54]([C:44]([CH2:33][CH2:25][CH2:21][CH2:22][CH2:28][CH2:37][CH:48]2[CH:53]([CH:51]([CH:52]3[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]3)[OH:59])[O:66]2)=[O:56])=[O:60])[O:63][C:50]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][CH:42]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:58])[O:64]1 |
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