| Properties | Image |
|---|
| MNX_ID | MNXM1195352 |
 |
| reference | envipathM:...92b5c2f71415 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | KMPHXLOIIYITHU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-18-24-32-44(57)54(61)64-42(40-62-50(58)36-28-21-16-19-26-34-46-49(66-46)39-48-45(65-48)33-6-4-2)41-63-51(59)37-29-23-25-31-43(56)52(60)53-47(67-53)35-27-20-17-22-30-38-55/h8-9,11-12,42-49,52-53,55-57,60H,3-7,10,13-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCC(O)C(O)C1OC1CCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-18-24-32-44(57)54(61)64-42(40-62-50(58)36-28-21-16-19-26-34-46-49(66-46)39-48-45(65-48)33-6-4-2)41-63-51(59)37-29-23-25-31-43(56)52(60)53-47(67-53)35-27-20-17-22-30-38-55/h8-9,11-12,42-49,52-53,55-57,60H,3-7,10,13-41H2,1-2H3/b9-8?,12-11?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:24][CH2:32][CH:44]([C:54](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:50]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:19][CH2:26][CH2:34][CH:46]1[CH:49]([CH2:39][CH:48]2[CH:45]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)=[O:58])[CH2:41][O:63][C:51]([CH2:37][CH2:29][CH2:23][CH2:25][CH2:31][CH:43]([CH:52]([CH:53]1[CH:47]([CH2:35][CH2:27][CH2:20][CH2:17][CH2:22][CH2:30][CH2:38][OH:55])[O:67]1)[OH:60])[OH:56])=[O:59])[OH:57] |
|