| Properties | Image |
|---|
| MNX_ID | MNXM1178810 |
 |
| reference | envipathM:...336812f70d67 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | MQGUVCIQCFYMSN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-32-48-50(67-48)38-51-49(68-51)34-21-11-9-12-23-36-52(60)63-39-43(65-54(62)45(59)31-20-16-18-28-42(57)27-17-10-7-6-8-15-24-37-55)40-64-53(61)44(58)30-19-13-14-22-33-46-47(66-46)35-25-29-41(56)26-4-2/h6-7,17,25,27,29,41-51,55-59H,3-5,8-16,18-24,26,28,30-40H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC)OC(=O)C(O)CCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-32-48-50(67-48)38-51-49(68-51)34-21-11-9-12-23-36-52(60)63-39-43(65-54(62)45(59)31-20-16-18-28-42(57)27-17-10-7-6-8-15-24-37-55)40-64-53(61)44(58)30-19-13-14-22-33-46-47(66-46)35-25-29-41(56)26-4-2/h6-7,17,25,27,29,41-51,55-59H,3-5,8-16,18-24,26,28,30-40H2,1-2H3/b7-6?,27-17?,29-25?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:32][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:34][CH2:21][CH2:11][CH2:9][CH2:12][CH2:23][CH2:36][C:52](=[O:60])[O:63][CH2:39][CH:43]([CH2:40][O:64][C:53]([CH:44]([CH2:30][CH2:19][CH2:13][CH2:14][CH2:22][CH2:33][CH:46]3[CH:47]([CH2:35][CH:25]=[CH:29][CH:41]([CH2:26][CH2:4][CH3:2])[OH:56])[O:66]3)[OH:58])=[O:61])[O:65][C:54]([CH:45]([CH2:31][CH2:20][CH2:16][CH2:18][CH2:28][CH:42]([CH:27]=[CH:17][CH2:10][CH:7]=[CH:6][CH2:8][CH2:15][CH2:24][CH2:37][OH:55])[OH:57])[OH:59])=[O:62])[O:68]2)[O:67]1 |
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