| Properties | Image |
|---|
| MNX_ID | MNXM1193016 |
 |
| reference | envipathM:...78866d2fed1d |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | WELVYWQIVGUXAN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-12-20-29-43(56)30-21-17-18-28-38-54(62)65-45(41-63-52(60)36-26-15-10-13-23-32-46(58)47(59)39-51-50(67-51)33-6-4-2)42-64-53(61)37-27-16-11-14-24-34-48-49(66-48)35-25-19-22-31-44(57)40-55/h8-9,19-20,25,29,43-46,48-51,55-58H,3-7,10-18,21-24,26-28,30-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-12-20-29-43(56)30-21-17-18-28-38-54(62)65-45(41-63-52(60)36-26-15-10-13-23-32-46(58)47(59)39-51-50(67-51)33-6-4-2)42-64-53(61)37-27-16-11-14-24-34-48-49(66-48)35-25-19-22-31-44(57)40-55/h8-9,19-20,25,29,43-46,48-51,55-58H,3-7,10-18,21-24,26-28,30-42H2,1-2H3/b9-8?,25-19?,29-20?/t43?,44?,45?,46?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:12][CH:20]=[CH:29][CH:43]([CH2:30][CH2:21][CH2:17][CH2:18][CH2:28][CH2:38][C:54](=[O:62])[O:65][CH:45]([CH2:41][O:63][C:52]([CH2:36][CH2:26][CH2:15][CH2:10][CH2:13][CH2:23][CH2:32][CH:46]([C:47]([CH2:39][CH:51]1[CH:50]([CH2:33][CH2:6][CH2:4][CH3:2])[O:67]1)=[O:59])[OH:58])=[O:60])[CH2:42][O:64][C:53]([CH2:37][CH2:27][CH2:16][CH2:11][CH2:14][CH2:24][CH2:34][CH:48]1[CH:49]([CH2:35][CH:25]=[CH:19][CH2:22][CH2:31][CH:44]([CH2:40][OH:55])[OH:57])[O:66]1)=[O:61])[OH:56] |
|