| Properties | Image |
MNX_ID | MNXM214127 |
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reference | slm:000264616 |
formula | C66H124O6 |
global charge | 0 |
mol weight | 1013.712 |
InChIKey | RXVSQLQCXFSXBP-OMBXYKLFSA-N |
InChI | InChI=1S/C66H124O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-41-45-49-53-57-64(67)70-60-63(61-71-65(68)58-54-50-46-43-39-40-44-48-52-56-62(3)4)72-66(69)59-55-51-47-42-38-36-33-20-18-16-14-12-10-8-6-2/h16,18,20,33,62-63H,5-15,17,19,21-32,34-61H2,1-4H3/b18-16+,33-20-/t63-/m0/s1 |
SMILES | CCCCCC/C=C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C66H124O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-41-45-49-53-57-64(67)70-60-63(61-71-65(68)58-54-50-46-43-39-40-44-48-52-56-62(3)4)72-66(69)59-55-51-47-42-38-36-33-20-18-16-14-12-10-8-6-2/h16,18,20,33,62-63H,5-15,17,19,21-32,34-61H2,1-4H3/b18-16+,33-20-/t63-/m0/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][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:35][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][C:64](=[O:67])[O:70][CH2:60][C@@H:63]([CH2:61][O:71][C:65]([CH2:58][CH2:54][CH2:50][CH2:46][CH2:43][CH2:39][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH:62]([CH3:3])[CH3:4])=[O:68])[O:72][C:66]([CH2:59][CH2:55][CH2:51][CH2:47][CH2:42][CH2:38][CH2:36]/[CH:33]=[CH:20]\[CH:18]=[CH:16]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:69] |
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