| Properties | Image |
|---|
| MNX_ID | MNXM1171449 |
 |
| reference | envipathM:...97f031e0ec95 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | IYCLAQWONGUXIQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-27-36-50(60)65-41(39-63-49(59)35-26-20-19-23-32-44(58)53-52(68-53)43(57)31-22-8-6-4-2)40-64-54(62)51(61)42(56)30-24-21-25-33-45-47(66-45)38-48-46(67-48)34-28-29-37-55/h9-10,12-13,22,31,41-48,51-53,55-58,61H,3-8,11,14-21,23-30,32-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1C(O)C=CCCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-27-36-50(60)65-41(39-63-49(59)35-26-20-19-23-32-44(58)53-52(68-53)43(57)31-22-8-6-4-2)40-64-54(62)51(61)42(56)30-24-21-25-33-45-47(66-45)38-48-46(67-48)34-28-29-37-55/h9-10,12-13,22,31,41-48,51-53,55-58,61H,3-8,11,14-21,23-30,32-40H2,1-2H3/b10-9?,13-12?,31-22?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:27][CH2:36][C:50](=[O:60])[O:65][CH:41]([CH2:39][O:63][C:49]([CH2:35][CH2:26][CH2:20][CH2:19][CH2:23][CH2:32][CH:44]([CH:53]1[CH:52]([CH:43]([CH:31]=[CH:22][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[O:68]1)[OH:58])=[O:59])[CH2:40][O:64][C:54]([CH:51]([CH:42]([CH2:30][CH2:24][CH2:21][CH2:25][CH2:33][CH:45]1[CH:47]([CH2:38][CH:48]2[CH:46]([CH2:34][CH2:28][CH2:29][CH2:37][OH:55])[O:67]2)[O:66]1)[OH:56])[OH:61])=[O:62] |
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