| Properties | Image |
|---|
| MNX_ID | MNXM1188401 |
 |
| reference | envipathM:...56823010bbc8 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | FFKCEAYDCIAKKS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-21-31-46-47(65-46)32-23-14-13-20-29-45(58)54(61)63-41-44(64-53(60)35-25-15-12-18-27-42(56)36-37-43(57)28-19-16-17-26-38-55)40-62-52(59)34-24-11-8-10-22-33-49-51(67-49)39-50-48(66-50)30-6-4-2/h9,19,21,28,36-37,42,44-51,55-56,58H,3-8,10-18,20,22-27,29-35,38-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CC(=O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-21-31-46-47(65-46)32-23-14-13-20-29-45(58)54(61)63-41-44(64-53(60)35-25-15-12-18-27-42(56)36-37-43(57)28-19-16-17-26-38-55)40-62-52(59)34-24-11-8-10-22-33-49-51(67-49)39-50-48(66-50)30-6-4-2/h9,19,21,28,36-37,42,44-51,55-56,58H,3-8,10-18,20,22-27,29-35,38-41H2,1-2H3/b21-9?,28-19?,37-36?/t42?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:21][CH2:31][CH:46]1[CH:47]([CH2:32][CH2:23][CH2:14][CH2:13][CH2:20][CH2:29][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:44]([CH2:40][O:62][C:52]([CH2:34][CH2:24][CH2:11][CH2:8][CH2:10][CH2:22][CH2:33][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:30][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:59])[O:64][C:53]([CH2:35][CH2:25][CH2:15][CH2:12][CH2:18][CH2:27][CH:42]([CH:36]=[CH:37][C:43]([CH:28]=[CH:19][CH2:16][CH2:17][CH2:26][CH2:38][OH:55])=[O:57])[OH:56])=[O:60])[OH:58])[O:65]1 |
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