| Properties | Image |
|---|
| MNX_ID | MNXM337226 |
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| reference | slm:000132674 |
| formula | C50H88O6 |
| global charge | 0 |
| mol weight | 785.248 |
| InChIKey | MXHPONBTZBNYLS-HRIGQNJNSA-N |
| InChI | InChI=1S/C50H88O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-30-35-39-43-50(53)56-47(45-55-49(52)42-38-34-31-27-28-32-36-40-46(3)4)44-54-48(51)41-37-33-29-25-23-16-14-12-10-8-6-2/h12-15,18-19,21-22,46-47H,5-11,16-17,20,23-45H2,1-4H3/b14-12-,15-13-,19-18-,22-21-/t47-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H88O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-30-35-39-43-50(53)56-47(45-55-49(52)42-38-34-31-27-28-32-36-40-46(3)4)44-54-48(51)41-37-33-29-25-23-16-14-12-10-8-6-2/h12-15,18-19,21-22,46-47H,5-11,16-17,20,23-45H2,1-4H3/b14-12-,15-13-,19-18-,22-21-/t47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24][CH2:26][CH2:30][CH2:35][CH2:39][CH2:43][C:50](=[O:53])[O:56][C@H:47]([CH2:44][O:54][C:48]([CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:23][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:51])[CH2:45][O:55][C:49]([CH2:42][CH2:38][CH2:34][CH2:31][CH2:27][CH2:28][CH2:32][CH2:36][CH2:40][CH:46]([CH3:3])[CH3:4])=[O:52] |
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