| Properties | Image |
|---|
| MNX_ID | MNXM324522 |
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| reference | slm:000130912 |
| formula | C49H88O6 |
| global charge | 0 |
| mol weight | 773.237 |
| InChIKey | VQCIJQAYJWARLX-ZXUNFVESSA-N |
| InChI | InChI=1S/C49H88O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-29-18-15-12-9-6-3)44-53-47(50)41-38-35-32-30-27-25-22-20-17-14-11-8-5-2/h11,14,20,22,28,31,46H,4-10,12-13,15-19,21,23-27,29-30,32-45H2,1-3H3/b14-11-,22-20-,31-28-/t46-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H88O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-29-18-15-12-9-6-3)44-53-47(50)41-38-35-32-30-27-25-22-20-17-14-11-8-5-2/h11,14,20,22,28,31,46H,4-10,12-13,15-19,21,23-27,29-30,32-45H2,1-3H3/b14-11-,22-20-,31-28-/t46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21][CH2:23][CH2:24][CH2:26]/[CH:28]=[CH:31]\[CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][C@@H:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:30][CH2:27][CH2:25]/[CH:22]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:50])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:29][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52] |
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