| Properties | Image |
|---|
| MNX_ID | MNXM1186224 |
 |
| reference | envipathM:...efce2381728a |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | METJHZAUDKDFMW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-21-31-44(57)53(61)54-47(67-54)34-24-17-14-20-26-36-51(59)63-41-43(64-52(60)37-27-18-12-10-8-7-9-11-15-22-29-42(56)30-28-38-55)40-62-50(58)35-25-19-13-16-23-33-46-49(66-46)39-48-45(65-48)32-6-4-2/h9,11,22,29,42-49,53-57,61H,3-8,10,12-21,23-28,30-41H2,1-2H3 |
| SMILES | CCCCCC(O)C(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-21-31-44(57)53(61)54-47(67-54)34-24-17-14-20-26-36-51(59)63-41-43(64-52(60)37-27-18-12-10-8-7-9-11-15-22-29-42(56)30-28-38-55)40-62-50(58)35-25-19-13-16-23-33-46-49(66-46)39-48-45(65-48)32-6-4-2/h9,11,22,29,42-49,53-57,61H,3-8,10,12-21,23-28,30-41H2,1-2H3/b11-9?,29-22?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:21][CH2:31][CH:44]([CH:53]([CH:54]1[CH:47]([CH2:34][CH2:24][CH2:17][CH2:14][CH2:20][CH2:26][CH2:36][C:51](=[O:59])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:50]([CH2:35][CH2:25][CH2:19][CH2:13][CH2:16][CH2:23][CH2:33][CH:46]2[CH:49]([CH2:39][CH:48]3[CH:45]([CH2:32][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:58])[O:64][C:52]([CH2:37][CH2:27][CH2:18][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH:22]=[CH:29][CH:42]([CH2:30][CH2:28][CH2:38][OH:55])[OH:56])=[O:60])[O:67]1)[OH:61])[OH:57] |
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