| Properties | Image |
MNX_ID | MNXM104383 |
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reference | slm:000119754 |
formula | C38H68O5 |
global charge | 0 |
mol weight | 604.957 |
InChIKey | HZWISUXXNQFCRM-IWSGKVBFSA-N |
InChI | InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-14-12-10-8-6-4-2/h11,13,16-17,19-20,36,39H,3-10,12,14-15,18,21-35H2,1-2H3/b13-11-,17-16-,20-19-/t36-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C38H68O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-14-12-10-8-6-4-2/h11,13,16-17,19-20,36,39H,3-10,12,14-15,18,21-35H2,1-2H3/b13-11-,17-16-,20-19-/t36-/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:41])[O:43][C@@H:36]([CH2:34][OH:39])[CH2:35][O:42][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40] |
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