| Properties | Image |
|---|
| MNX_ID | MNXM1186469 |
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| reference | envipathM:...544dd6648fd3 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | WJVIUHMGSKVQFD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-15-24-33-46-47(64-46)34-26-21-20-23-31-45(57)54(60)62-41-44(63-53(59)37-28-18-13-11-12-16-22-30-43(56)38-42(55)29-8-5-2)40-61-52(58)36-27-19-14-17-25-35-49-51(66-49)39-50-48(65-50)32-9-6-3/h15,24,42,44-51,55,57H,4-14,16-23,25-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCC(=O)CC(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-15-24-33-46-47(64-46)34-26-21-20-23-31-45(57)54(60)62-41-44(63-53(59)37-28-18-13-11-12-16-22-30-43(56)38-42(55)29-8-5-2)40-61-52(58)36-27-19-14-17-25-35-49-51(66-49)39-50-48(65-50)32-9-6-3/h15,24,42,44-51,55,57H,4-14,16-23,25-41H2,1-3H3/b24-15?/t42?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:24][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:26][CH2:21][CH2:20][CH2:23][CH2:31][CH:45]([C:54](=[O:60])[O:62][CH2:41][CH:44]([CH2:40][O:61][C:52]([CH2:36][CH2:27][CH2:19][CH2:14][CH2:17][CH2:25][CH2:35][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:32][CH2:9][CH2:6][CH3:3])[O:65]3)[O:66]2)=[O:58])[O:63][C:53]([CH2:37][CH2:28][CH2:18][CH2:13][CH2:11][CH2:12][CH2:16][CH2:22][CH2:30][C:43]([CH2:38][CH:42]([CH2:29][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:59])[OH:57])[O:64]1 |
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