| Properties | Image |
|---|
| MNX_ID | MNXM1183578 |
 |
| reference | envipathM:...907c501641c1 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | UWBSHHYNBSJBHI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-12-23-33-45-46(66-45)34-24-14-11-15-26-36-49(59)63-39-41(65-50(60)37-27-19-22-30-43(57)42(56)29-20-13-9-8-10-18-28-38-55)40-64-54(62)44(58)31-21-16-17-25-35-48-53(68-48)51(61)52-47(67-52)32-6-4-2/h8-9,12,20,23,29,41-48,51-53,55-58,61H,3-7,10-11,13-19,21-22,24-28,30-40H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCC(O)C(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-12-23-33-45-46(66-45)34-24-14-11-15-26-36-49(59)63-39-41(65-50(60)37-27-19-22-30-43(57)42(56)29-20-13-9-8-10-18-28-38-55)40-64-54(62)44(58)31-21-16-17-25-35-48-53(68-48)51(61)52-47(67-52)32-6-4-2/h8-9,12,20,23,29,41-48,51-53,55-58,61H,3-7,10-11,13-19,21-22,24-28,30-40H2,1-2H3/b9-8?,23-12?,29-20?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:12]=[CH:23][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:24][CH2:14][CH2:11][CH2:15][CH2:26][CH2:36][C:49](=[O:59])[O:63][CH2:39][CH:41]([CH2:40][O:64][C:54]([CH:44]([CH2:31][CH2:21][CH2:16][CH2:17][CH2:25][CH2:35][CH:48]2[CH:53]([CH:51]([CH:52]3[CH:47]([CH2:32][CH2:6][CH2:4][CH3:2])[O:67]3)[OH:61])[O:68]2)[OH:58])=[O:62])[O:65][C:50]([CH2:37][CH2:27][CH2:19][CH2:22][CH2:30][CH:43]([CH:42]([CH:29]=[CH:20][CH2:13][CH:9]=[CH:8][CH2:10][CH2:18][CH2:28][CH2:38][OH:55])[OH:56])[OH:57])=[O:60])[O:66]1 |
|