| Properties | Image |
|---|
| MNX_ID | MNXM1171240 |
 |
| reference | envipathM:...3786e4a37694 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | OHDJOXWREOXKCF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-39-53(62)66-44(43-65-52(61)38-30-25-19-22-28-36-50-49(67-50)35-27-20-8-6-4-2)42-64-51(60)37-29-24-18-21-26-33-45(56)47(58)41-48(59)54(63)46(57)34-32-40-55/h9-10,12-13,20,27,44-50,55-59H,3-8,11,14-19,21-26,28-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC(O)C(=O)C(O)CCCO)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-39-53(62)66-44(43-65-52(61)38-30-25-19-22-28-36-50-49(67-50)35-27-20-8-6-4-2)42-64-51(60)37-29-24-18-21-26-33-45(56)47(58)41-48(59)54(63)46(57)34-32-40-55/h9-10,12-13,20,27,44-50,55-59H,3-8,11,14-19,21-26,28-43H2,1-2H3/b10-9?,13-12?,27-20?/t44?,45?,46?,47?,48?,49?,50? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:23][CH2:31][CH2:39][C:53](=[O:62])[O:66][CH:44]([CH2:42][O:64][C:51]([CH2:37][CH2:29][CH2:24][CH2:18][CH2:21][CH2:26][CH2:33][CH:45]([CH:47]([CH2:41][CH:48]([C:54]([CH:46]([CH2:34][CH2:32][CH2:40][OH:55])[OH:57])=[O:63])[OH:59])[OH:58])[OH:56])=[O:60])[CH2:43][O:65][C:52]([CH2:38][CH2:30][CH2:25][CH2:19][CH2:22][CH2:28][CH2:36][CH:50]1[CH:49]([CH2:35][CH:27]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)=[O:61] |
|