| Properties | Image |
|---|
| MNX_ID | MNXM1191091 |
 |
| reference | envipathM:...bad25fe46a6b |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | NZCMARPDAJJHKF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-18-26-34-45-46(65-45)35-27-23-22-25-33-44(57)54(61)63-41-42(64-49(59)38-30-20-15-13-11-9-7-8-10-12-14-16-24-31-39-55)40-62-48(58)37-29-21-17-19-28-36-47-52(66-47)50(60)53-51(67-53)43(56)32-4-2/h7-8,12,14,18,26,42-47,50-53,55-57,60H,3-6,9-11,13,15-17,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-18-26-34-45-46(65-45)35-27-23-22-25-33-44(57)54(61)63-41-42(64-49(59)38-30-20-15-13-11-9-7-8-10-12-14-16-24-31-39-55)40-62-48(58)37-29-21-17-19-28-36-47-52(66-47)50(60)53-51(67-53)43(56)32-4-2/h7-8,12,14,18,26,42-47,50-53,55-57,60H,3-6,9-11,13,15-17,19-25,27-41H2,1-2H3/b8-7?,14-12?,26-18?/t42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:18]=[CH:26][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:27][CH2:23][CH2:22][CH2:25][CH2:33][CH:44]([C:54](=[O:61])[O:63][CH2:41][CH:42]([CH2:40][O:62][C:48]([CH2:37][CH2:29][CH2:21][CH2:17][CH2:19][CH2:28][CH2:36][CH:47]2[CH:52]([CH:50]([CH:53]3[CH:51]([CH:43]([CH2:32][CH2:4][CH3:2])[OH:56])[O:67]3)[OH:60])[O:66]2)=[O:58])[O:64][C:49]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:7]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:24][CH2:31][CH2:39][OH:55])=[O:59])[OH:57])[O:65]1 |
|