| Properties | Image |
MNX_ID | MNXM329310 |
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reference | slm:000127113 |
formula | C46H86O6 |
global charge | 0 |
mol weight | 735.188 |
InChIKey | JDYXEVCRKLQJND-IXLQFSIZSA-N |
InChI | InChI=1S/C46H86O6/c1-5-7-9-11-13-15-16-17-18-22-26-30-34-38-45(48)51-41-43(40-50-44(47)37-33-29-25-20-14-12-10-8-6-2)52-46(49)39-35-31-27-23-19-21-24-28-32-36-42(3)4/h15-16,42-43H,5-14,17-41H2,1-4H3/b16-15-/t43-/m0/s1 |
SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C46H86O6/c1-5-7-9-11-13-15-16-17-18-22-26-30-34-38-45(48)51-41-43(40-50-44(47)37-33-29-25-20-14-12-10-8-6-2)52-46(49)39-35-31-27-23-19-21-24-28-32-36-42(3)4/h15-16,42-43H,5-14,17-41H2,1-4H3/b16-15-/t43-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:22][CH2:26][CH2:30][CH2:34][CH2:38][C:45](=[O:48])[O:51][CH2:41][C@H:43]([CH2:40][O:50][C:44]([CH2:37][CH2:33][CH2:29][CH2:25][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:47])[O:52][C:46]([CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:21][CH2:24][CH2:28][CH2:32][CH2:36][CH:42]([CH3:3])[CH3:4])=[O:49] |
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