| Properties | Image |
MNX_ID | MNXM317754 |
 |
reference | slm:000239490 |
formula | C64H110O6 |
global charge | 0 |
mol weight | 975.578 |
InChIKey | ZOFLNVDVMGDEOD-GSHVETBCSA-N |
InChI | InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31-32,35-37,39,61H,4-15,18,21-24,27,30,33-34,38,40-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-31-,37-35-,39-36-/t61-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,31-32,35-37,39,61H,4-15,18,21-24,27,30,33-34,38,40-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,32-31-,37-35-,39-36-/t61-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:35]=[CH:37]\[CH2:40][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:63](=[O:66])[O:69][CH2:60][C@H:61]([CH2:59][O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41]/[CH:39]=[CH:36]\[CH2:34]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:65])[O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:38][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:67] |
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