| Properties | Image |
|---|
| MNX_ID | MNXM1191175 |
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| reference | envipathM:...9d6e431797f5 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | QCZUSNNCYJUYRG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-16-26-35-46-53(66-46)45(57)34-25-21-22-29-38-49(59)64-41-43(65-50(60)39-30-19-14-12-13-17-24-32-42(55)31-23-11-8-5-2)40-63-48(58)37-28-20-15-18-27-36-47-54(67-47)52(62)51(61)44(56)33-9-6-3/h16,23-24,26,31-32,43-47,51-54,56-57,61-62H,4-15,17-22,25,27-30,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)CCCC)OC(=O)CCCCCCCC=CC(=O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-16-26-35-46-53(66-46)45(57)34-25-21-22-29-38-49(59)64-41-43(65-50(60)39-30-19-14-12-13-17-24-32-42(55)31-23-11-8-5-2)40-63-48(58)37-28-20-15-18-27-36-47-54(67-47)52(62)51(61)44(56)33-9-6-3/h16,23-24,26,31-32,43-47,51-54,56-57,61-62H,4-15,17-22,25,27-30,33-41H2,1-3H3/b26-16?,31-23?,32-24?/t43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:26][CH2:35][CH:46]1[CH:53]([CH:45]([CH2:34][CH2:25][CH2:21][CH2:22][CH2:29][CH2:38][C:49](=[O:59])[O:64][CH2:41][CH:43]([CH2:40][O:63][C:48]([CH2:37][CH2:28][CH2:20][CH2:15][CH2:18][CH2:27][CH2:36][CH:47]2[CH:54]([CH:52]([CH:51]([CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:56])[OH:61])[OH:62])[O:67]2)=[O:58])[O:65][C:50]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][C:42]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])=[O:60])[OH:57])[O:66]1 |
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