| Properties | Image |
|---|
| MNX_ID | MNXM1306836 |
 |
| reference | envipathM:...4a5f6b946fdd |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | ALWNVHYQQLRQLT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-24-31-43(56)52(61)53(62)44(57)32-25-20-22-28-36-50(59)64-40-42(66-51(60)37-29-18-16-14-12-10-8-9-11-13-15-17-23-30-38-55)41-65-54(63)45(58)33-26-19-21-27-35-47-49(68-47)39-48-46(67-48)34-6-4-2/h8-9,13,15,24,31,42-49,52-53,55-58,61-62H,3-7,10-12,14,16-23,25-30,32-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-24-31-43(56)52(61)53(62)44(57)32-25-20-22-28-36-50(59)64-40-42(66-51(60)37-29-18-16-14-12-10-8-9-11-13-15-17-23-30-38-55)41-65-54(63)45(58)33-26-19-21-27-35-47-49(68-47)39-48-46(67-48)34-6-4-2/h8-9,13,15,24,31,42-49,52-53,55-58,61-62H,3-7,10-12,14,16-23,25-30,32-41H2,1-2H3/b9-8?,15-13?,31-24?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:24]=[CH:31][CH:43]([CH:52]([CH:53]([CH:44]([CH2:32][CH2:25][CH2:20][CH2:22][CH2:28][CH2:36][C:50](=[O:59])[O:64][CH2:40][CH:42]([CH2:41][O:65][C:54]([CH:45]([CH2:33][CH2:26][CH2:19][CH2:21][CH2:27][CH2:35][CH:47]1[CH:49]([CH2:39][CH:48]2[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]2)[O:68]1)[OH:58])=[O:63])[O:66][C:51]([CH2:37][CH2:29][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:23][CH2:30][CH2:38][OH:55])=[O:60])[OH:57])[OH:62])[OH:61])[OH:56] |
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