| Properties | Image |
MNX_ID | MNXM330809 |
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reference | slm:000123281 |
formula | C43H72O5 |
global charge | 0 |
mol weight | 669.044 |
InChIKey | FIKMKZGFNHETIZ-CGHXFZIRSA-N |
InChI | InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,41,44H,3-4,6,8-10,12,15,19,22,25-40H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-/t41-/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
InChI (mnx) | InChI=1/C43H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,41,44H,3-4,6,8-10,12,15,19,22,25-40H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-/t41-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH: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][CH2:29][CH2:27][CH2:25]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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