| Properties | Image |
|---|
| MNX_ID | MNXM1181857 |
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| reference | envipathM:...6d5c787ad4b6 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | IEIKDLLGRREESR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-18-26-34-47-48(67-47)35-27-20-17-21-29-37-51(60)64-40-42(66-53(62)45(58)33-24-19-15-13-11-9-8-10-12-14-16-22-30-38-55)41-65-54(63)52(61)44(57)32-25-23-28-36-49-50(68-49)39-46(59)43(56)31-6-4-2/h8-9,12,14,18,26,42-50,52,55-59,61H,3-7,10-11,13,15-17,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)C(O)CCCCCC1OC1CC(O)C(O)CCCC)OC(=O)C(O)CCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-18-26-34-47-48(67-47)35-27-20-17-21-29-37-51(60)64-40-42(66-53(62)45(58)33-24-19-15-13-11-9-8-10-12-14-16-22-30-38-55)41-65-54(63)52(61)44(57)32-25-23-28-36-49-50(68-49)39-46(59)43(56)31-6-4-2/h8-9,12,14,18,26,42-50,52,55-59,61H,3-7,10-11,13,15-17,19-25,27-41H2,1-2H3/b9-8?,14-12?,26-18?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:18]=[CH:26][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:27][CH2:20][CH2:17][CH2:21][CH2:29][CH2:37][C:51](=[O:60])[O:64][CH2:40][CH:42]([CH2:41][O:65][C:54]([CH:52]([CH:44]([CH2:32][CH2:25][CH2:23][CH2:28][CH2:36][CH:49]2[CH:50]([CH2:39][CH:46]([CH:43]([CH2:31][CH2:6][CH2:4][CH3:2])[OH:56])[OH:59])[O:68]2)[OH:57])[OH:61])=[O:63])[O:66][C:53]([CH:45]([CH2:33][CH2:24][CH2:19][CH2:15][CH2:13][CH2:11][CH:9]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:22][CH2:30][CH2:38][OH:55])[OH:58])=[O:62])[O:67]1 |
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