| Properties | Image |
|---|
| MNX_ID | MNXM1194700 |
 |
| reference | envipathM:...0e844dd6f3e5 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | BACHOWDGVGJGHI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-35-48-50(65-48)41-51-49(66-51)36-26-18-13-21-28-38-53(60)63-43-45(64-54(61)39-29-19-11-9-7-6-8-10-15-23-32-44(56)31-4-2)42-62-52(59)37-27-20-12-16-24-33-46(57)47(58)34-25-17-14-22-30-40-55/h8,10,17,23,25,32,40,44-46,48-51,56-57H,3-7,9,11-16,18-22,24,26-31,33-39,41-43H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(=O)CC=CCCCC=O)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-35-48-50(65-48)41-51-49(66-51)36-26-18-13-21-28-38-53(60)63-43-45(64-54(61)39-29-19-11-9-7-6-8-10-15-23-32-44(56)31-4-2)42-62-52(59)37-27-20-12-16-24-33-46(57)47(58)34-25-17-14-22-30-40-55/h8,10,17,23,25,32,40,44-46,48-51,56-57H,3-7,9,11-16,18-22,24,26-31,33-39,41-43H2,1-2H3/b10-8?,25-17?,32-23?/t44?,45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:35][CH:48]1[CH:50]([CH2:41][CH:51]2[CH:49]([CH2:36][CH2:26][CH2:18][CH2:13][CH2:21][CH2:28][CH2:38][C:53](=[O:60])[O:63][CH2:43][CH:45]([CH2:42][O:62][C:52]([CH2:37][CH2:27][CH2:20][CH2:12][CH2:16][CH2:24][CH2:33][CH:46]([C:47]([CH2:34][CH:25]=[CH:17][CH2:14][CH2:22][CH2:30][CH:40]=[O:55])=[O:58])[OH:57])=[O:59])[O:64][C:54]([CH2:39][CH2:29][CH2:19][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:15][CH:23]=[CH:32][CH:44]([CH2:31][CH2:4][CH3:2])[OH:56])=[O:61])[O:66]2)[O:65]1 |
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