| Properties | Image |
|---|
| MNX_ID | MNXM187412 |
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| reference | slm:000129393 |
| formula | C48H88O6 |
| global charge | 0 |
| mol weight | 761.226 |
| InChIKey | RFOWTGPUCIVUTC-VBUULPJASA-N |
| InChI | InChI=1S/C48H88O6/c1-5-7-9-11-13-15-17-18-19-20-22-24-28-33-37-41-48(51)54-45(43-53-47(50)40-36-32-29-25-26-30-34-38-44(3)4)42-52-46(49)39-35-31-27-23-21-16-14-12-10-8-6-2/h12,14,22,24,44-45H,5-11,13,15-21,23,25-43H2,1-4H3/b14-12-,24-22-/t45-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H88O6/c1-5-7-9-11-13-15-17-18-19-20-22-24-28-33-37-41-48(51)54-45(43-53-47(50)40-36-32-29-25-26-30-34-38-44(3)4)42-52-46(49)39-35-31-27-23-21-16-14-12-10-8-6-2/h12,14,22,24,44-45H,5-11,13,15-21,23,25-43H2,1-4H3/b14-12-,24-22-/t45-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20]/[CH:22]=[CH:24]\[CH2:28][CH2:33][CH2:37][CH2:41][C:48](=[O:51])[O:54][C@@H:45]([CH2:42][O:52][C:46]([CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:21][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:49])[CH2:43][O:53][C:47]([CH2:40][CH2:36][CH2:32][CH2:29][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH:44]([CH3:3])[CH3:4])=[O:50] |
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