| Properties | Image |
|---|
| MNX_ID | MNXM1175654 |
 |
| reference | envipathM:...0e9a9ac23223 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | WBYSLGVTJRNLGO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-8-16-26-35-47-52(66-47)44(57)32-23-21-24-33-45(58)54(61)63-40-42(64-51(60)37-28-19-14-12-10-9-11-13-17-22-31-41(55)29-5-2)39-62-50(59)36-27-20-15-18-25-34-46-48(65-46)38-49-53(67-49)43(56)30-6-3/h16,22,26,31,41-49,52-53,55-58H,4-15,17-21,23-25,27-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-8-16-26-35-47-52(66-47)44(57)32-23-21-24-33-45(58)54(61)63-40-42(64-51(60)37-28-19-14-12-10-9-11-13-17-22-31-41(55)29-5-2)39-62-50(59)36-27-20-15-18-25-34-46-48(65-46)38-49-53(67-49)43(56)30-6-3/h16,22,26,31,41-49,52-53,55-58H,4-15,17-21,23-25,27-30,32-40H2,1-3H3/b26-16?,31-22?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:16]=[CH:26][CH2:35][CH:47]1[CH:52]([CH:44]([CH2:32][CH2:23][CH2:21][CH2:24][CH2:33][CH:45]([C:54](=[O:61])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:50]([CH2:36][CH2:27][CH2:20][CH2:15][CH2:18][CH2:25][CH2:34][CH:46]2[CH:48]([CH2:38][CH:49]3[CH:53]([CH:43]([CH2:30][CH2:6][CH3:3])[OH:56])[O:67]3)[O:65]2)=[O:59])[O:64][C:51]([CH2:37][CH2:28][CH2:19][CH2:14][CH2:12][CH2:10][CH2:9][CH2:11][CH2:13][CH2:17][CH:22]=[CH:31][CH:41]([CH2:29][CH2:5][CH3:2])[OH:55])=[O:60])[OH:58])[OH:57])[O:66]1 |
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