| Properties | Image |
|---|
| MNX_ID | MNXM1187838 |
 |
| reference | envipathM:...60116750d6ec |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | QWEYNPJGACQZME-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-31-48-50(67-48)37-51-49(68-51)33-22-15-13-17-24-35-52(60)63-39-42(65-53(61)36-25-16-12-10-8-6-7-9-11-14-20-29-43(57)45(59)38-55)40-64-54(62)44(58)30-21-18-19-23-32-46-47(66-46)34-26-28-41(56)27-4-2/h7,9,14,20,26,28,41-51,55-59H,3-6,8,10-13,15-19,21-25,27,29-40H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCC(O)C(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-31-48-50(67-48)37-51-49(68-51)33-22-15-13-17-24-35-52(60)63-39-42(65-53(61)36-25-16-12-10-8-6-7-9-11-14-20-29-43(57)45(59)38-55)40-64-54(62)44(58)30-21-18-19-23-32-46-47(66-46)34-26-28-41(56)27-4-2/h7,9,14,20,26,28,41-51,55-59H,3-6,8,10-13,15-19,21-25,27,29-40H2,1-2H3/b9-7?,20-14?,28-26?/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]([CH2:37][CH:51]2[CH:49]([CH2:33][CH2:22][CH2:15][CH2:13][CH2:17][CH2:24][CH2:35][C:52](=[O:60])[O:63][CH2:39][CH:42]([CH2:40][O:64][C:54]([CH:44]([CH2:30][CH2:21][CH2:18][CH2:19][CH2:23][CH2:32][CH:46]3[CH:47]([CH2:34][CH:26]=[CH:28][CH:41]([CH2:27][CH2:4][CH3:2])[OH:56])[O:66]3)[OH:58])=[O:62])[O:65][C:53]([CH2:36][CH2:25][CH2:16][CH2:12][CH2:10][CH2:8][CH2:6][CH:7]=[CH:9][CH2:11][CH:14]=[CH:20][CH2:29][CH:43]([CH:45]([CH2:38][OH:55])[OH:59])[OH:57])=[O:61])[O:68]2)[O:67]1 |
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