| Properties | Image |
|---|
| MNX_ID | MNXM174376 |
 |
| reference | slm:000241190 |
| formula | C64H112O6 |
| global charge | 0 |
| mol weight | 977.594 |
| InChIKey | NEOLAJYKRCLMPF-PCQCDUFHSA-N |
| InChI | InChI=1S/C64H112O6/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/h13-16,19-22,25-28,60-61H,5-12,17-18,23-24,29-59H2,1-4H3/b15-13-,16-14-,21-19-,22-20-,27-25-,28-26-/t61-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H112O6/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/h13-16,19-22,25-28,60-61H,5-12,17-18,23-24,29-59H2,1-4H3/b15-13-,16-14-,21-19-,22-20-,27-25-,28-26-/t61-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][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][CH2:36][CH2:32][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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