| Properties | Image |
|---|
| MNX_ID | MNXM1171663 |
 |
| reference | envipathM:...8c897314775e |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | OZJSRIXCGKMSHH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-14-24-32-46-47(66-46)33-25-17-13-18-26-34-51(60)63-39-41(65-54(62)45(59)30-23-16-12-10-8-9-11-15-21-28-42(56)43(57)36-37-55)40-64-52(61)35-27-20-19-22-29-44(58)53-50(68-53)38-49-48(67-49)31-6-4-2/h9,11,14,21,24,28,41-50,53,55-59H,3-8,10,12-13,15-20,22-23,25-27,29-40H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)C(O)CCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-14-24-32-46-47(66-46)33-25-17-13-18-26-34-51(60)63-39-41(65-54(62)45(59)30-23-16-12-10-8-9-11-15-21-28-42(56)43(57)36-37-55)40-64-52(61)35-27-20-19-22-29-44(58)53-50(68-53)38-49-48(67-49)31-6-4-2/h9,11,14,21,24,28,41-50,53,55-59H,3-8,10,12-13,15-20,22-23,25-27,29-40H2,1-2H3/b11-9?,24-14?,28-21?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:14]=[CH:24][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:25][CH2:17][CH2:13][CH2:18][CH2:26][CH2:34][C:51](=[O:60])[O:63][CH2:39][CH:41]([CH2:40][O:64][C:52]([CH2:35][CH2:27][CH2:20][CH2:19][CH2:22][CH2:29][CH:44]([CH:53]2[CH:50]([CH2:38][CH:49]3[CH:48]([CH2:31][CH2:6][CH2:4][CH3:2])[O:67]3)[O:68]2)[OH:58])=[O:61])[O:65][C:54]([CH:45]([CH2:30][CH2:23][CH2:16][CH2:12][CH2:10][CH2:8][CH:9]=[CH:11][CH2:15][CH:21]=[CH:28][CH:42]([CH:43]([CH2:36][CH2:37][OH:55])[OH:57])[OH:56])[OH:59])=[O:62])[O:66]1 |
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