| Properties | Image |
|---|
| MNX_ID | MNXM1198509 |
 |
| reference | envipathM:...c00ae86a796c |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | DRJRWGPRAMFOEN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-31-46-49(64-46)39-50-47(65-50)32-23-17-14-20-25-34-51(58)61-40-44(63-53(60)36-27-19-13-11-9-8-10-12-16-22-30-42(55)28-5-2)41-62-52(59)35-26-21-15-18-24-33-48-54(66-48)45(57)38-37-43(56)29-6-3/h37-38,42-50,54-57H,4-36,39-41H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC)OC(=O)CCCCCCCCCCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-31-46-49(64-46)39-50-47(65-50)32-23-17-14-20-25-34-51(58)61-40-44(63-53(60)36-27-19-13-11-9-8-10-12-16-22-30-42(55)28-5-2)41-62-52(59)35-26-21-15-18-24-33-48-54(66-48)45(57)38-37-43(56)29-6-3/h37-38,42-50,54-57H,4-36,39-41H2,1-3H3/b38-37?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:31][CH:46]1[CH:49]([CH2:39][CH:50]2[CH:47]([CH2:32][CH2:23][CH2:17][CH2:14][CH2:20][CH2:25][CH2:34][C:51](=[O:58])[O:61][CH2:40][CH:44]([CH2:41][O:62][C:52]([CH2:35][CH2:26][CH2:21][CH2:15][CH2:18][CH2:24][CH2:33][CH:48]3[CH:54]([CH:45]([CH:38]=[CH:37][CH:43]([CH2:29][CH2:6][CH3:3])[OH:56])[OH:57])[O:66]3)=[O:59])[O:63][C:53]([CH2:36][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:16][CH2:22][CH2:30][CH:42]([CH2:28][CH2:5][CH3:2])[OH:55])=[O:60])[O:65]2)[O:64]1 |
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