| Properties | Image |
|---|
| MNX_ID | MNXM1189714 |
 |
| reference | envipathM:...3811a3c987d2 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | KUDHEFKPYFWPAI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-39-50(59)65-43(41-64-54(62)45(57)34-25-23-24-26-35-46-47(66-46)37-30-32-42(55)31-6-3)40-63-49(58)38-28-22-19-20-27-36-48-53(67-48)52(61)51(60)44(56)33-8-5-2/h10-11,13-14,42-48,51-53,55-57,60-61H,4-9,12,15-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)CCCC)COC(=O)C(O)CCCCCCC1OC1CCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-39-50(59)65-43(41-64-54(62)45(57)34-25-23-24-26-35-46-47(66-46)37-30-32-42(55)31-6-3)40-63-49(58)38-28-22-19-20-27-36-48-53(67-48)52(61)51(60)44(56)33-8-5-2/h10-11,13-14,42-48,51-53,55-57,60-61H,4-9,12,15-41H2,1-3H3/b11-10?,14-13?/t42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:29][CH2:39][C:50](=[O:59])[O:65][CH:43]([CH2:40][O:63][C:49]([CH2:38][CH2:28][CH2:22][CH2:19][CH2:20][CH2:27][CH2:36][CH:48]1[CH:53]([CH:52]([CH:51]([CH:44]([CH2:33][CH2:8][CH2:5][CH3:2])[OH:56])[OH:60])[OH:61])[O:67]1)=[O:58])[CH2:41][O:64][C:54]([CH:45]([CH2:34][CH2:25][CH2:23][CH2:24][CH2:26][CH2:35][CH:46]1[CH:47]([CH2:37][CH2:30][CH2:32][CH:42]([CH2:31][CH2:6][CH3:3])[OH:55])[O:66]1)[OH:57])=[O:62] |
|