| Properties | Image |
MNX_ID | MNXM104389 |
 |
reference | chebi:188287 |
formula | C34H62O5 |
global charge | 0 |
mol weight | 550.865 |
InChIKey | ZTVOWOFMXNBYQI-CQDQLOAZSA-N |
InChI | InChI=1S/C34H62O5/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-18-14-12-10-8-6-4-2/h9,11,15-16,32,35H,3-8,10,12-14,17-31H2,1-2H3/b11-9-,16-15-/t32-/m0/s1 |
SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C34H62O5/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-18-14-12-10-8-6-4-2/h9,11,15-16,32,35H,3-8,10,12-14,17-31H2,1-2H3/b11-9-,16-15-/t32-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13]/[CH:15]=[CH:16]\[CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:34](=[O:37])[O:39][C@@H:32]([CH2:30][OH:35])[CH2:31][O:38][C:33]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:36] |
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