| Properties | Image |
|---|
| MNX_ID | MNXM1196696 |
 |
| reference | envipathM:...409dec29f508 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | IEXJQBOLBLDUIJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-31-48-50(67-48)38-51-49(68-51)33-18-7-6-8-20-35-52(60)63-39-44(65-53(61)36-21-12-9-14-26-42(57)27-16-13-15-25-41(56)24-4-2)40-64-54(62)45(59)30-17-10-11-19-32-46-47(66-46)34-22-28-43(58)29-23-37-55/h15-16,22,25,27-28,41-51,55-59H,3-14,17-21,23-24,26,29-40H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCCO)OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-31-48-50(67-48)38-51-49(68-51)33-18-7-6-8-20-35-52(60)63-39-44(65-53(61)36-21-12-9-14-26-42(57)27-16-13-15-25-41(56)24-4-2)40-64-54(62)45(59)30-17-10-11-19-32-46-47(66-46)34-22-28-43(58)29-23-37-55/h15-16,22,25,27-28,41-51,55-59H,3-14,17-21,23-24,26,29-40H2,1-2H3/b25-15?,27-16?,28-22?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:31][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:33][CH2:18][CH2:7][CH2:6][CH2:8][CH2:20][CH2:35][C:52](=[O:60])[O:63][CH2:39][CH:44]([CH2:40][O:64][C:54]([CH:45]([CH2:30][CH2:17][CH2:10][CH2:11][CH2:19][CH2:32][CH:46]3[CH:47]([CH2:34][CH:22]=[CH:28][CH:43]([CH2:29][CH2:23][CH2:37][OH:55])[OH:58])[O:66]3)[OH:59])=[O:62])[O:65][C:53]([CH2:36][CH2:21][CH2:12][CH2:9][CH2:14][CH2:26][CH:42]([CH:27]=[CH:16][CH2:13][CH:15]=[CH:25][CH:41]([CH2:24][CH2:4][CH3:2])[OH:56])[OH:57])=[O:61])[O:68]2)[O:67]1 |
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