| Properties | Image |
|---|
| MNX_ID | MNXM1196488 |
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| reference | envipathM:...6a239636ff97 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | AHXYQBAJAGPWAY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-13-19-29-45-46(66-45)30-20-14-11-16-22-32-50(59)63-38-41(65-52(61)34-25-24-28-42(56)53(62)43(57)36-35-40(55)27-18-10-8-5-2)39-64-51(60)33-23-17-12-15-21-31-47-48(67-47)37-49-54(68-49)44(58)26-6-3/h13,18-19,27,35-36,40-49,53-58,62H,4-12,14-17,20-26,28-34,37-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCC(O)C(O)C(O)C=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-13-19-29-45-46(66-45)30-20-14-11-16-22-32-50(59)63-38-41(65-52(61)34-25-24-28-42(56)53(62)43(57)36-35-40(55)27-18-10-8-5-2)39-64-51(60)33-23-17-12-15-21-31-47-48(67-47)37-49-54(68-49)44(58)26-6-3/h13,18-19,27,35-36,40-49,53-58,62H,4-12,14-17,20-26,28-34,37-39H2,1-3H3/b19-13?,27-18?,36-35?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:13]=[CH:19][CH2:29][CH:45]1[CH:46]([CH2:30][CH2:20][CH2:14][CH2:11][CH2:16][CH2:22][CH2:32][C:50](=[O:59])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:51]([CH2:33][CH2:23][CH2:17][CH2:12][CH2:15][CH2:21][CH2:31][CH:47]2[CH:48]([CH2:37][CH:49]3[CH:54]([CH:44]([CH2:26][CH2:6][CH3:3])[OH:58])[O:68]3)[O:67]2)=[O:60])[O:65][C:52]([CH2:34][CH2:25][CH2:24][CH2:28][CH:42]([CH:53]([CH:43]([CH:36]=[CH:35][CH:40]([CH:27]=[CH:18][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])[OH:62])[OH:56])=[O:61])[O:66]1 |
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