| Properties | Image |
|---|
| MNX_ID | MNXM229205 |
 |
| reference | slm:000235685 |
| formula | C64H104O6 |
| global charge | 0 |
| mol weight | 969.53 |
| InChIKey | PMADWXKNENFPOW-GHRCQWLOSA-N |
| InChI | InChI=1S/C64H104O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-47-51-55-62(65)68-58-61(59-69-63(66)56-52-48-44-40-37-33-34-38-42-46-50-54-60(3)4)70-64(67)57-53-49-45-41-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25-28,31-32,35-36,43,47,60-61H,5-6,8,10-12,17-18,23-24,29-30,33-34,37-42,44-46,48-59H2,1-4H3/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,35-31-,36-32-,47-43-/t61-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H104O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-47-51-55-62(65)68-58-61(59-69-63(66)56-52-48-44-40-37-33-34-38-42-46-50-54-60(3)4)70-64(67)57-53-49-45-41-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25-28,31-32,35-36,43,47,60-61H,5-6,8,10-12,17-18,23-24,29-30,33-34,37-42,44-46,48-59H2,1-4H3/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,35-31-,36-32-,47-43-/t61-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:35]\[CH2:39]/[CH:43]=[CH:47]\[CH2:51][CH2:55][C:62](=[O:65])[O:68][CH2:58][C@@H:61]([CH2:59][O:69][C:63]([CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:37][CH2:33][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH:60]([CH3:3])[CH3:4])=[O:66])[O:70][C:64]([CH2:57][CH2:53][CH2:49][CH2:45][CH2:41]/[CH:36]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:67] |
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