| Properties | Image |
|---|
| MNX_ID | MNXM1172405 |
 |
| reference | envipathM:...52b4b1e983fa |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | KJRBHNIRVSKJQO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-8-16-25-33-46-47(67-46)34-26-18-15-20-28-36-50(59)64-39-42(66-51(60)37-29-19-14-12-10-9-11-13-17-23-31-41(55)30-5-2)40-65-54(63)44(57)32-24-21-22-27-35-48-49(68-48)38-45(58)53(62)52(61)43(56)6-3/h11,13,16,23,25,31,41-49,52-53,55-58,61-62H,4-10,12,14-15,17-22,24,26-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)C(O)C(O)CC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-8-16-25-33-46-47(67-46)34-26-18-15-20-28-36-50(59)64-39-42(66-51(60)37-29-19-14-12-10-9-11-13-17-23-31-41(55)30-5-2)40-65-54(63)44(57)32-24-21-22-27-35-48-49(68-48)38-45(58)53(62)52(61)43(56)6-3/h11,13,16,23,25,31,41-49,52-53,55-58,61-62H,4-10,12,14-15,17-22,24,26-30,32-40H2,1-3H3/b13-11?,25-16?,31-23?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:16]=[CH:25][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:26][CH2:18][CH2:15][CH2:20][CH2:28][CH2:36][C:50](=[O:59])[O:64][CH2:39][CH:42]([CH2:40][O:65][C:54]([CH:44]([CH2:32][CH2:24][CH2:21][CH2:22][CH2:27][CH2:35][CH:48]2[CH:49]([CH2:38][CH:45]([CH:53]([CH:52]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:61])[OH:62])[OH:58])[O:68]2)[OH:57])=[O:63])[O:66][C:51]([CH2:37][CH2:29][CH2:19][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:17][CH:23]=[CH:31][CH:41]([CH2:30][CH2:5][CH3:2])[OH:55])=[O:60])[O:67]1 |
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