| Properties | Image |
MNX_ID | MNXM329562 |
 |
reference | slm:000118833 |
formula | C36H68O5 |
global charge | 0 |
mol weight | 580.935 |
InChIKey | CUBNMZOWONZQQE-CGGBURMJSA-N |
InChI | InChI=1S/C36H68O5/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-15-12-13-16-19-22-25-28-33(2)3/h9-10,33-34,37H,4-8,11-32H2,1-3H3/b10-9-/t34-/m0/s1 |
SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C36H68O5/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-18-15-12-13-16-19-22-25-28-33(2)3/h9-10,33-34,37H,4-8,11-32H2,1-3H3/b10-9-/t34-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][C:35](=[O:38])[O:40][CH2:32][C@H:34]([CH2:31][OH:37])[O:41][C:36]([CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH:33]([CH3:2])[CH3:3])=[O:39] |
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