| Properties | Image |
|---|
| MNX_ID | MNXM192662 |
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| reference | slm:000271636 |
| formula | C67H126O6 |
| global charge | 0 |
| mol weight | 1027.739 |
| InChIKey | XFPLLOWJOAVKHO-VCIPCETMSA-N |
| InChI | InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3/h20,23,45,48,64H,4-19,21-22,24-44,46-47,49-63H2,1-3H3/b23-20+,48-45-/t64-/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H126O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3/h20,23,45,48,64H,4-19,21-22,24-44,46-47,49-63H2,1-3H3/b23-20+,48-45-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:67](=[O:70])[O:73][C@H:64]([CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:26]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68])[CH2:63][O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42][CH2:39][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:69] |
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