| Properties | Image |
MNX_ID | MNXM107624 |
 |
reference | chebi:70598 |
formula | C29H57NO2 |
global charge | 0 |
mol weight | 451.78 |
InChIKey | OUKNGSYCVUDFOT-VUDYHDPXSA-N |
InChI | InChI=1S/C29H57NO2/c1-3-4-5-16-19-22-26(2)23-20-17-14-12-10-8-6-7-9-11-13-15-18-21-24-28-29(31)27(30)25-32-28/h7,9,26-29,31H,3-6,8,10-25,30H2,1-2H3/b9-7-/t26?,27-,28-,29-/m0/s1 |
SMILES | CCCCCCCC(C)CCCCCCCC/C=C\CCCCCC[C@@H]1OC[C@H](N)[C@@H]1O |
MNX internals
InChI (mnx) | InChI=1/C29H57NO2/c1-3-4-5-16-19-22-26(2)23-20-17-14-12-10-8-6-7-9-11-13-15-18-21-24-28-29(31)27(30)25-32-28/h7,9,26-29,31H,3-6,8,10-25,30H2,1-2H3/b9-7-/t26?,27-,28-,29-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:16][CH2:19][CH2:22][CH:26]([CH3:2])[CH2:23][CH2:20][CH2:17][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6]/[CH:7]=[CH:9]\[CH2:11][CH2:13][CH2:15][CH2:18][CH2:21][CH2:24][C@H:28]1[C@@H:29]([OH:31])[C@@H:27]([NH2:30])[CH2:25][O:32]1 |
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