| Properties | Image |
|---|
| MNX_ID | MNXM1172448 |
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| reference | envipathM:...7503dec0c368 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | QYGQXMMFAHATER-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-29-37-50(60)66-41(40-65-54(63)45(58)34-27-23-22-26-32-43(56)51(61)42(55)31-25-11-8-5-2)39-64-49(59)36-30-24-28-33-44(57)52(62)53-48(68-53)38-47-46(67-47)35-9-6-3/h12-13,15-16,25,31,41-48,51-53,55-58,61-62H,4-11,14,17-24,26-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCC(O)C(O)C1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC(O)C(O)C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-29-37-50(60)66-41(40-65-54(63)45(58)34-27-23-22-26-32-43(56)51(61)42(55)31-25-11-8-5-2)39-64-49(59)36-30-24-28-33-44(57)52(62)53-48(68-53)38-47-46(67-47)35-9-6-3/h12-13,15-16,25,31,41-48,51-53,55-58,61-62H,4-11,14,17-24,26-30,32-40H2,1-3H3/b13-12?,16-15?,31-25?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:29][CH2:37][C:50](=[O:60])[O:66][CH:41]([CH2:39][O:64][C:49]([CH2:36][CH2:30][CH2:24][CH2:28][CH2:33][CH:44]([CH:52]([CH:53]1[CH:48]([CH2:38][CH:47]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:67]2)[O:68]1)[OH:62])[OH:57])=[O:59])[CH2:40][O:65][C:54]([CH:45]([CH2:34][CH2:27][CH2:23][CH2:22][CH2:26][CH2:32][CH:43]([CH:51]([CH:42]([CH:31]=[CH:25][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:61])[OH:56])[OH:58])=[O:63] |
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