| Properties | Image |
|---|
| MNX_ID | MNXM198620 |
 |
| reference | slm:000156606 |
| formula | C55H98O6 |
| global charge | 0 |
| mol weight | 855.383 |
| InChIKey | USFKGVSLUZKPQH-GMCNJRHJSA-N |
| InChI | InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,32,35,52H,4-6,8-9,11-15,17-18,20-24,27-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,26-25-,35-32-/t52-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,32,35,52H,4-6,8-9,11-15,17-18,20-24,27-31,33-34,36-51H2,1-3H3/b10-7-,19-16-,26-25-,35-32-/t52-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38]/[CH:35]=[CH:32]\[CH2:29][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58] |
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