| Properties | Image |
|---|
| MNX_ID | MNXM1188021 |
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| reference | envipathM:...69ce1d9fcee2 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | TUBYPBQZPNIEHR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-10-11-13-20-29-42(56)30-21-16-19-26-38-50(59)64-43(40-63-54(61)44(57)32-22-17-18-23-34-45-46(65-45)36-27-31-41(55)28-6-3)39-62-49(58)37-25-15-12-14-24-35-48-53(67-48)51(60)52-47(66-52)33-8-5-2/h20,27,29,31,41-48,51-53,55-57,60H,4-19,21-26,28,30,32-40H2,1-3H3 |
| SMILES | CCCCCCCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-10-11-13-20-29-42(56)30-21-16-19-26-38-50(59)64-43(40-63-54(61)44(57)32-22-17-18-23-34-45-46(65-45)36-27-31-41(55)28-6-3)39-62-49(58)37-25-15-12-14-24-35-48-53(67-48)51(60)52-47(66-52)33-8-5-2/h20,27,29,31,41-48,51-53,55-57,60H,4-19,21-26,28,30,32-40H2,1-3H3/b29-20?,31-27?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:10][CH2:11][CH2:13][CH:20]=[CH:29][CH:42]([CH2:30][CH2:21][CH2:16][CH2:19][CH2:26][CH2:38][C:50](=[O:59])[O:64][CH:43]([CH2:39][O:62][C:49]([CH2:37][CH2:25][CH2:15][CH2:12][CH2:14][CH2:24][CH2:35][CH:48]1[CH:53]([CH:51]([CH:52]2[CH:47]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:60])[O:67]1)=[O:58])[CH2:40][O:63][C:54]([CH:44]([CH2:32][CH2:22][CH2:17][CH2:18][CH2:23][CH2:34][CH:45]1[CH:46]([CH2:36][CH:27]=[CH:31][CH:41]([CH2:28][CH2:6][CH3:3])[OH:55])[O:65]1)[OH:57])=[O:61])[OH:56] |
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