| Properties | Image |
|---|
| MNX_ID | MNXM228580 |
 |
| reference | slm:000255625 |
| formula | C66H110O6 |
| global charge | 0 |
| mol weight | 999.6 |
| InChIKey | FBXWDTXYACGFKV-HJRFYHMSSA-N |
| InChI | InChI=1S/C66H110O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-37-41-45-49-53-57-64(67)70-60-63(61-71-65(68)58-54-50-46-42-39-35-36-40-44-48-52-56-62(3)4)72-66(69)59-55-51-47-43-38-34-32-30-27-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,25-27,29-31,34,38,47,51,62-63H,5-12,17-18,23-24,28,32-33,35-37,39-46,48-50,52-61H2,1-4H3/b15-13-,16-14-,21-19-,22-20-,26-25-,30-27-,31-29-,38-34-,51-47-/t63-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C66H110O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-37-41-45-49-53-57-64(67)70-60-63(61-71-65(68)58-54-50-46-42-39-35-36-40-44-48-52-56-62(3)4)72-66(69)59-55-51-47-43-38-34-32-30-27-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,25-27,29-31,34,38,47,51,62-63H,5-12,17-18,23-24,28,32-33,35-37,39-46,48-50,52-61H2,1-4H3/b15-13-,16-14-,21-19-,22-20-,26-25-,30-27-,31-29-,38-34-,51-47-/t63-/m0/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:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:33][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][CH2:42][CH2:39][CH2:35][CH2:36][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]/[CH:51]=[CH:47]\[CH2:43]/[CH:38]=[CH:34]\[CH2:32]/[CH:30]=[CH:27]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:69] |
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