| Properties | Image |
MNX_ID | MNXM178581 |
 |
reference | slm:000128928 |
formula | C48H84O6 |
global charge | 0 |
mol weight | 757.194 |
InChIKey | IRDQFINQTIYSLC-PZJUVPHKSA-N |
InChI | InChI=1S/C48H84O6/c1-4-7-10-13-16-19-22-24-26-29-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-28-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h10-11,13-14,19-20,22-23,45H,4-9,12,15-18,21,24-44H2,1-3H3/b13-10-,14-11-,22-19-,23-20- |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C48H84O6/c1-4-7-10-13-16-19-22-24-26-29-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-28-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h10-11,13-14,19-20,22-23,45H,4-9,12,15-18,21,24-44H2,1-3H3/b13-10-,14-11-,22-19-,23-20- |
 |
SMILES (mnx) | [CH3:1][CH2:4][CH2:7]/[CH:10]=[CH:13]\[CH2:16]/[CH:19]=[CH:22]\[CH2:24][CH2:26][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][C:46](=[O:49])[O:52][CH2:43][CH:45]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:30][CH2:27][CH2:25]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:50])[O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:28][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51] |
|