| Properties | Image |
|---|
| MNX_ID | MNXM1185650 |
 |
| reference | envipathM:...41ecf7c190da |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | SIEWIFFLIIJMHA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-18-23-31-43(56)52(60)54(61)64-42(40-62-50(58)36-27-20-16-19-26-34-46-45(65-46)33-25-17-8-6-4-2)41-63-51(59)37-28-22-21-24-32-44(57)53-49(67-53)39-48-47(66-48)35-29-30-38-55/h9-10,12-13,17,25,42,44-49,52-53,55,57,60H,3-8,11,14-16,18-24,26-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCC(=O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-18-23-31-43(56)52(60)54(61)64-42(40-62-50(58)36-27-20-16-19-26-34-46-45(65-46)33-25-17-8-6-4-2)41-63-51(59)37-28-22-21-24-32-44(57)53-49(67-53)39-48-47(66-48)35-29-30-38-55/h9-10,12-13,17,25,42,44-49,52-53,55,57,60H,3-8,11,14-16,18-24,26-41H2,1-2H3/b10-9?,13-12?,25-17?/t42?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:18][CH2:23][CH2:31][C:43]([CH:52]([C:54](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:50]([CH2:36][CH2:27][CH2:20][CH2:16][CH2:19][CH2:26][CH2:34][CH:46]1[CH:45]([CH2:33][CH:25]=[CH:17][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:58])[CH2:41][O:63][C:51]([CH2:37][CH2:28][CH2:22][CH2:21][CH2:24][CH2:32][CH:44]([CH:53]1[CH:49]([CH2:39][CH:48]2[CH:47]([CH2:35][CH2:29][CH2:30][CH2:38][OH:55])[O:66]2)[O:67]1)[OH:57])=[O:59])[OH:60])=[O:56] |
|