| Properties | Image |
MNX_ID | MNXM352656 |
 |
reference | slm:000117811 |
formula | C33H62O5 |
global charge | 0 |
mol weight | 538.854 |
InChIKey | PQTQNYZOCAKARX-AHVPQQLLSA-N |
InChI | InChI=1S/C33H62O5/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-12-10-8-6-4-2/h15-16,31,34H,3-14,17-30H2,1-2H3/b16-15-/t31-/m1/s1 |
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C33H62O5/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(36)38-30-31(34)29-37-32(35)27-25-23-21-19-12-10-8-6-4-2/h15-16,31,34H,3-14,17-30H2,1-2H3/b16-15-/t31-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:33](=[O:36])[O:38][CH2:30][C@@H:31]([CH2:29][O:37][C:32]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:35])[OH:34] |
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