| Properties | Image |
|---|
| MNX_ID | MNXM1190246 |
 |
| reference | envipathM:...55eeca464a5a |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | TVORCGJVTQWGMB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-6-12-23-33-47-48(67-47)34-24-14-10-16-26-36-51(60)64-40-43(66-54(63)45(58)32-22-19-21-31-42(56)30-20-13-8-7-9-18-28-38-55)41-65-52(61)37-27-17-11-15-25-35-49-50(68-49)39-46(59)53(62)44(57)29-4-2/h7-8,12,20,23,30,42-50,53,55-59,62H,3-6,9-11,13-19,21-22,24-29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC)OC(=O)C(O)CCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-6-12-23-33-47-48(67-47)34-24-14-10-16-26-36-51(60)64-40-43(66-54(63)45(58)32-22-19-21-31-42(56)30-20-13-8-7-9-18-28-38-55)41-65-52(61)37-27-17-11-15-25-35-49-50(68-49)39-46(59)53(62)44(57)29-4-2/h7-8,12,20,23,30,42-50,53,55-59,62H,3-6,9-11,13-19,21-22,24-29,31-41H2,1-2H3/b8-7?,23-12?,30-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:12]=[CH:23][CH2:33][CH:47]1[CH:48]([CH2:34][CH2:24][CH2:14][CH2:10][CH2:16][CH2:26][CH2:36][C:51](=[O:60])[O:64][CH2:40][CH:43]([CH2:41][O:65][C:52]([CH2:37][CH2:27][CH2:17][CH2:11][CH2:15][CH2:25][CH2:35][CH:49]2[CH:50]([CH2:39][CH:46]([CH:53]([CH:44]([CH2:29][CH2:4][CH3:2])[OH:57])[OH:62])[OH:59])[O:68]2)=[O:61])[O:66][C:54]([CH:45]([CH2:32][CH2:22][CH2:19][CH2:21][CH2:31][CH:42]([CH:30]=[CH:20][CH2:13][CH:8]=[CH:7][CH2:9][CH2:18][CH2:28][CH2:38][OH:55])[OH:56])[OH:58])=[O:63])[O:67]1 |
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