| Properties | Image |
|---|
| MNX_ID | MNXM1193906 |
 |
| reference | envipathM:...08826852d152 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | HMOCULYJXGNTDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-31-46-49(66-46)37-50-47(67-50)32-22-15-13-17-23-34-51(60)63-39-42(65-53(62)36-25-16-12-10-8-6-7-9-11-14-20-29-43(57)45(59)38-55)40-64-52(61)35-24-19-18-21-30-44(58)54-48(68-54)33-26-28-41(56)27-4-2/h7,9,14,20,26,28,41-50,54-59H,3-6,8,10-13,15-19,21-25,27,29-40H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCC(O)C(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-31-46-49(66-46)37-50-47(67-50)32-22-15-13-17-23-34-51(60)63-39-42(65-53(62)36-25-16-12-10-8-6-7-9-11-14-20-29-43(57)45(59)38-55)40-64-52(61)35-24-19-18-21-30-44(58)54-48(68-54)33-26-28-41(56)27-4-2/h7,9,14,20,26,28,41-50,54-59H,3-6,8,10-13,15-19,21-25,27,29-40H2,1-2H3/b9-7?,20-14?,28-26?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:31][CH:46]1[CH:49]([CH2:37][CH:50]2[CH:47]([CH2:32][CH2:22][CH2:15][CH2:13][CH2:17][CH2:23][CH2:34][C:51](=[O:60])[O:63][CH2:39][CH:42]([CH2:40][O:64][C:52]([CH2:35][CH2:24][CH2:19][CH2:18][CH2:21][CH2:30][CH:44]([CH:54]3[CH:48]([CH2:33][CH:26]=[CH:28][CH:41]([CH2:27][CH2:4][CH3:2])[OH:56])[O:68]3)[OH:58])=[O:61])[O:65][C:53]([CH2:36][CH2:25][CH2:16][CH2:12][CH2:10][CH2:8][CH2:6][CH:7]=[CH:9][CH2:11][CH:14]=[CH:20][CH2:29][CH:43]([CH:45]([CH2:38][OH:55])[OH:59])[OH:57])=[O:62])[O:67]2)[O:66]1 |
|