| Properties | Image |
MNX_ID | MNXM104439 |
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reference | slm:000123249 |
formula | C43H72O5 |
global charge | 0 |
mol weight | 669.044 |
InChIKey | CLWBKEMGQCRASR-OJLYVZPZSA-N |
InChI | InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,41,44H,3-10,15-16,20,24-26,28,30-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,29-27-/t41-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,41,44H,3-10,15-16,20,24-26,28,30-40H2,1-2H3/b13-11-,14-12-,19-17-,22-21-,23-18-,29-27-/t41-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:46])[O:48][C@@H:41]([CH2:39][OH:44])[CH2:40][O:47][C:42]([CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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