| Properties | Image |
|---|
| MNX_ID | MNXM1176419 |
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| reference | envipathM:...1ceee06554e5 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | QEWMKXPROOUJEY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-23-30-42(56)51-52(68-51)43(57)31-25-22-26-32-44(58)53(61)64-40-41(65-54(62)45(59)33-24-18-15-13-11-9-8-10-12-14-16-21-29-37-55)39-63-50(60)36-28-20-17-19-27-35-47-49(67-47)38-48-46(66-48)34-6-4-2/h8-9,12,14,23,30,41-49,51-52,55-59H,3-7,10-11,13,15-22,24-29,31-40H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1C(O)CCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-23-30-42(56)51-52(68-51)43(57)31-25-22-26-32-44(58)53(61)64-40-41(65-54(62)45(59)33-24-18-15-13-11-9-8-10-12-14-16-21-29-37-55)39-63-50(60)36-28-20-17-19-27-35-47-49(67-47)38-48-46(66-48)34-6-4-2/h8-9,12,14,23,30,41-49,51-52,55-59H,3-7,10-11,13,15-22,24-29,31-40H2,1-2H3/b9-8?,14-12?,30-23?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:23]=[CH:30][CH:42]([CH:51]1[CH:52]([CH:43]([CH2:31][CH2:25][CH2:22][CH2:26][CH2:32][CH:44]([C:53](=[O:61])[O:64][CH2:40][CH:41]([CH2:39][O:63][C:50]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:19][CH2:27][CH2:35][CH:47]2[CH:49]([CH2:38][CH:48]3[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:60])[O:65][C:54]([CH:45]([CH2:33][CH2:24][CH2:18][CH2:15][CH2:13][CH2:11][CH:9]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:21][CH2:29][CH2:37][OH:55])[OH:59])=[O:62])[OH:58])[OH:57])[O:68]1)[OH:56] |
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