| Properties | Image |
|---|
| MNX_ID | MNXM1178168 |
 |
| reference | envipathM:...5ce652fbf0dd |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | MFMYCDTYUWJZNZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-31-46-48(65-46)39-49-47(66-49)32-24-17-16-19-25-33-50(59)62-40-43(64-52(61)35-27-18-14-12-10-8-6-7-9-11-13-15-22-28-38-55)41-63-51(60)34-26-21-20-23-30-44(57)53-54(67-53)45(58)37-36-42(56)29-4-2/h6-7,36-37,42-49,53-58H,3-5,8-35,38-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1C(O)C=CC(O)CCC)OC(=O)CCCCCCCC=CCCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-31-46-48(65-46)39-49-47(66-49)32-24-17-16-19-25-33-50(59)62-40-43(64-52(61)35-27-18-14-12-10-8-6-7-9-11-13-15-22-28-38-55)41-63-51(60)34-26-21-20-23-30-44(57)53-54(67-53)45(58)37-36-42(56)29-4-2/h6-7,36-37,42-49,53-58H,3-5,8-35,38-41H2,1-2H3/b7-6?,37-36?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:31][CH:46]1[CH:48]([CH2:39][CH:49]2[CH:47]([CH2:32][CH2:24][CH2:17][CH2:16][CH2:19][CH2:25][CH2:33][C:50](=[O:59])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:51]([CH2:34][CH2:26][CH2:21][CH2:20][CH2:23][CH2:30][CH:44]([CH:53]3[CH:54]([CH:45]([CH:37]=[CH:36][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[OH:58])[O:67]3)[OH:57])=[O:60])[O:64][C:52]([CH2:35][CH2:27][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:22][CH2:28][CH2:38][OH:55])=[O:61])[O:66]2)[O:65]1 |
|