| Properties | Image |
|---|
| MNX_ID | MNXM214209 |
 |
| reference | slm:000156944 |
| formula | C55H98O6 |
| global charge | 0 |
| mol weight | 855.383 |
| InChIKey | LTYPMUPWJUPBCX-ZXFMOPMLSA-N |
| InChI | InChI=1S/C55H98O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31-37-42-47-55(58)61-52(49-60-54(57)46-41-36-32-27-29-34-39-44-51(4)5)48-59-53(56)45-40-35-30-26-23-24-28-33-38-43-50(2)3/h10-11,13-14,16-17,19-20,50-52H,6-9,12,15,18,21-49H2,1-5H3/b11-10-,14-13-,17-16-,20-19-/t52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C55H98O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31-37-42-47-55(58)61-52(49-60-54(57)46-41-36-32-27-29-34-39-44-51(4)5)48-59-53(56)45-40-35-30-26-23-24-28-33-38-43-50(2)3/h10-11,13-14,16-17,19-20,50-52H,6-9,12,15,18,21-49H2,1-5H3/b11-10-,14-13-,17-16-,20-19-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:25][CH2:31][CH2:37][CH2:42][CH2:47][C:55](=[O:58])[O:61][C@H:52]([CH2:48][O:59][C:53]([CH2:45][CH2:40][CH2:35][CH2:30][CH2:26][CH2:23][CH2:24][CH2:28][CH2:33][CH2:38][CH2:43][CH:50]([CH3:2])[CH3:3])=[O:56])[CH2:49][O:60][C:54]([CH2:46][CH2:41][CH2:36][CH2:32][CH2:27][CH2:29][CH2:34][CH2:39][CH2:44][CH:51]([CH3:4])[CH3:5])=[O:57] |
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