| Properties | Image |
|---|
| MNX_ID | MNXM1184592 |
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| reference | envipathM:...6446b37a6ae1 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | INHAWSFCWOWDCK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-23-31-43(56)52-48(67-52)36-27-21-19-25-33-45(58)54(61)63-40-42(64-51(59)37-28-17-15-13-11-10-12-14-16-22-30-41(55)29-6-3)39-62-53(60)44(57)32-24-18-20-26-35-47-50(66-47)38-49-46(65-49)34-8-5-2/h12,14,22,30,41-50,52,55-58H,4-11,13,15-21,23-29,31-40H2,1-3H3 |
| SMILES | CCCCCCC(O)C1OC1CCCCCCC(O)C(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-23-31-43(56)52-48(67-52)36-27-21-19-25-33-45(58)54(61)63-40-42(64-51(59)37-28-17-15-13-11-10-12-14-16-22-30-41(55)29-6-3)39-62-53(60)44(57)32-24-18-20-26-35-47-50(66-47)38-49-46(65-49)34-8-5-2/h12,14,22,30,41-50,52,55-58H,4-11,13,15-21,23-29,31-40H2,1-3H3/b14-12?,30-22?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:23][CH2:31][CH:43]([CH:52]1[CH:48]([CH2:36][CH2:27][CH2:21][CH2:19][CH2:25][CH2:33][CH:45]([C:54](=[O:61])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:53]([CH:44]([CH2:32][CH2:24][CH2:18][CH2:20][CH2:26][CH2:35][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:34][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)[OH:57])=[O:60])[O:64][C:51]([CH2:37][CH2:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:16][CH:22]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])=[O:59])[OH:58])[O:67]1)[OH:56] |
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