| Properties | Image |
MNX_ID | MNXM358468 |
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reference | slm:000193654 |
formula | C59H108O6 |
global charge | 0 |
mol weight | 913.507 |
InChIKey | GHDLEKNZGJTDKU-BRMSWUPPSA-N |
InChI | InChI=1S/C59H108O6/c1-5-7-9-11-13-15-17-19-21-22-23-25-26-30-34-38-42-46-50-57(60)63-53-56(54-64-58(61)51-47-43-39-35-32-28-29-33-37-41-45-49-55(3)4)65-59(62)52-48-44-40-36-31-27-24-20-18-16-14-12-10-8-6-2/h8,10,14,16,20,24,55-56H,5-7,9,11-13,15,17-19,21-23,25-54H2,1-4H3/b10-8-,16-14-,24-20-/t56-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C59H108O6/c1-5-7-9-11-13-15-17-19-21-22-23-25-26-30-34-38-42-46-50-57(60)63-53-56(54-64-58(61)51-47-43-39-35-32-28-29-33-37-41-45-49-55(3)4)65-59(62)52-48-44-40-36-31-27-24-20-18-16-14-12-10-8-6-2/h8,10,14,16,20,24,55-56H,5-7,9,11-13,15,17-19,21-23,25-54H2,1-4H3/b10-8-,16-14-,24-20-/t56-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][C:57](=[O:60])[O:63][CH2:53][C@H:56]([CH2:54][O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:32][CH2:28][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH:55]([CH3:3])[CH3:4])=[O:61])[O:65][C:59]([CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:31][CH2:27]/[CH:24]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:62] |
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