| Properties | Image |
|---|
| MNX_ID | MNXM1173426 |
 |
| reference | envipathM:...35f3d24afdfc |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | YBISXFMNHQZGOZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-27-41(56)29-19-13-9-7-5-6-8-10-16-24-36-53(62)65-42(39-63-51(60)34-22-17-11-14-20-31-46-47(66-46)33-26-25-30-43(57)45(59)38-55)40-64-52(61)35-23-18-12-15-21-32-48-49(67-48)37-50-54(68-50)44(58)28-4-2/h7,9,19,25-26,29,41-50,54-59H,3-6,8,10-18,20-24,27-28,30-40H2,1-2H3 |
| SMILES | CCCC(O)C=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCC(O)C(O)CO)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-27-41(56)29-19-13-9-7-5-6-8-10-16-24-36-53(62)65-42(39-63-51(60)34-22-17-11-14-20-31-46-47(66-46)33-26-25-30-43(57)45(59)38-55)40-64-52(61)35-23-18-12-15-21-32-48-49(67-48)37-50-54(68-50)44(58)28-4-2/h7,9,19,25-26,29,41-50,54-59H,3-6,8,10-18,20-24,27-28,30-40H2,1-2H3/b9-7?,26-25?,29-19?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:27][CH:41]([CH:29]=[CH:19][CH2:13][CH:9]=[CH:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:16][CH2:24][CH2:36][C:53](=[O:62])[O:65][CH:42]([CH2:39][O:63][C:51]([CH2:34][CH2:22][CH2:17][CH2:11][CH2:14][CH2:20][CH2:31][CH:46]1[CH:47]([CH2:33][CH:26]=[CH:25][CH2:30][CH:43]([CH:45]([CH2:38][OH:55])[OH:59])[OH:57])[O:66]1)=[O:60])[CH2:40][O:64][C:52]([CH2:35][CH2:23][CH2:18][CH2:12][CH2:15][CH2:21][CH2:32][CH:48]1[CH:49]([CH2:37][CH:50]2[CH:54]([CH:44]([CH2:28][CH2:4][CH3:2])[OH:58])[O:68]2)[O:67]1)=[O:61])[OH:56] |
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