| Properties | Image |
|---|
| MNX_ID | MNXM1170493 |
 |
| reference | envipathM:...c8e7e0ccd0a9 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | LSAUVKFOOMCGSC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-12-20-32-45-46(66-45)33-22-17-19-30-44(58)53(61)54(62)64-40-43(65-52(60)36-24-15-10-8-9-13-18-27-41(56)28-25-26-29-42(57)38-55)39-63-51(59)35-23-16-11-14-21-34-48-50(68-48)37-49-47(67-49)31-6-4-2/h12,18,20,25,27-28,41-50,53,55-58,61H,3-11,13-17,19,21-24,26,29-40H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCC(O)C(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-12-20-32-45-46(66-45)33-22-17-19-30-44(58)53(61)54(62)64-40-43(65-52(60)36-24-15-10-8-9-13-18-27-41(56)28-25-26-29-42(57)38-55)39-63-51(59)35-23-16-11-14-21-34-48-50(68-48)37-49-47(67-49)31-6-4-2/h12,18,20,25,27-28,41-50,53,55-58,61H,3-11,13-17,19,21-24,26,29-40H2,1-2H3/b20-12?,27-18?,28-25?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:12]=[CH:20][CH2:32][CH:45]1[CH:46]([CH2:33][CH2:22][CH2:17][CH2:19][CH2:30][CH:44]([CH:53]([C:54](=[O:62])[O:64][CH2:40][CH:43]([CH2:39][O:63][C:51]([CH2:35][CH2:23][CH2:16][CH2:11][CH2:14][CH2:21][CH2:34][CH:48]2[CH:50]([CH2:37][CH:49]3[CH:47]([CH2:31][CH2:6][CH2:4][CH3:2])[O:67]3)[O:68]2)=[O:59])[O:65][C:52]([CH2:36][CH2:24][CH2:15][CH2:10][CH2:8][CH2:9][CH2:13][CH:18]=[CH:27][CH:41]([CH:28]=[CH:25][CH2:26][CH2:29][CH:42]([CH2:38][OH:55])[OH:57])[OH:56])=[O:60])[OH:61])[OH:58])[O:66]1 |
|