| Properties | Image |
MNX_ID | MNXM351699 |
 |
reference | slm:000126852 |
formula | C46H84O6 |
global charge | 0 |
mol weight | 733.172 |
InChIKey | RKRGFYOGEOQJLC-KTFHZPJYSA-N |
InChI | InChI=1S/C46H84O6/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-46(49)52-43(41-50-44(47)38-35-32-29-26-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-22-20-17-14-11-8-5-2/h10,13,19,21,43H,4-9,11-12,14-18,20,22-42H2,1-3H3/b13-10-,21-19-/t43-/m1/s1 |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C46H84O6/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-46(49)52-43(41-50-44(47)38-35-32-29-26-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-22-20-17-14-11-8-5-2/h10,13,19,21,43H,4-9,11-12,14-18,20,22-42H2,1-3H3/b13-10-,21-19-/t43-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7]/[CH:10]=[CH:13]\[CH2:16]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][C:46](=[O:49])[O:52][C@H:43]([CH2:41][O:50][C:44]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:47])[CH2:42][O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:48] |
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