| Properties | Image |
|---|
| MNX_ID | MNXM1182727 |
 |
| reference | envipathM:...e2b755c20a41 |
| formula | C54H90O11 |
| global charge | 0 |
| mol weight | 915.303 |
| InChIKey | TYUKBICKIQIGRF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O11/c1-4-7-9-15-23-32-46-47(63-46)33-24-17-13-20-26-35-52(57)60-41-45(62-54(59)37-28-19-12-10-11-16-22-30-44(56)39-38-43(55)29-6-3)42-61-53(58)36-27-21-14-18-25-34-49-51(65-49)40-50-48(64-50)31-8-5-2/h15,22-23,30,38-39,43,45-51,55H,4-14,16-21,24-29,31-37,40-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(=O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O11/c1-4-7-9-15-23-32-46-47(63-46)33-24-17-13-20-26-35-52(57)60-41-45(62-54(59)37-28-19-12-10-11-16-22-30-44(56)39-38-43(55)29-6-3)42-61-53(58)36-27-21-14-18-25-34-49-51(65-49)40-50-48(64-50)31-8-5-2/h15,22-23,30,38-39,43,45-51,55H,4-14,16-21,24-29,31-37,40-42H2,1-3H3/b23-15?,30-22?,39-38?/t43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:24][CH2:17][CH2:13][CH2:20][CH2:26][CH2:35][C:52](=[O:57])[O:60][CH2:41][CH:45]([CH2:42][O:61][C:53]([CH2:36][CH2:27][CH2:21][CH2:14][CH2:18][CH2:25][CH2:34][CH:49]2[CH:51]([CH2:40][CH:50]3[CH:48]([CH2:31][CH2:8][CH2:5][CH3:2])[O:64]3)[O:65]2)=[O:58])[O:62][C:54]([CH2:37][CH2:28][CH2:19][CH2:12][CH2:10][CH2:11][CH2:16][CH:22]=[CH:30][C:44]([CH:39]=[CH:38][CH:43]([CH2:29][CH2:6][CH3:3])[OH:55])=[O:56])=[O:59])[O:63]1 |
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