| Properties | Image |
|---|
| MNX_ID | MNXM335485 |
 |
| reference | slm:000131655 |
| formula | C49H92O6 |
| global charge | 0 |
| mol weight | 777.269 |
| InChIKey | ZBBHIBWKKRRJKX-PIUAXRFMSA-N |
| InChI | InChI=1S/C49H92O6/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-29-33-37-41-48(51)54-44-46(55-49(52)42-38-34-30-26-27-31-35-39-45(3)4)43-53-47(50)40-36-32-28-24-22-16-14-12-10-8-6-2/h12,14,45-46H,5-11,13,15-44H2,1-4H3/b14-12-/t46-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H92O6/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-29-33-37-41-48(51)54-44-46(55-49(52)42-38-34-30-26-27-31-35-39-45(3)4)43-53-47(50)40-36-32-28-24-22-16-14-12-10-8-6-2/h12,14,45-46H,5-11,13,15-44H2,1-4H3/b14-12-/t46-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][C:48](=[O:51])[O:54][CH2:44][C@@H:46]([CH2:43][O:53][C:47]([CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:22][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])=[O:50])[O:55][C:49]([CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:27][CH2:31][CH2:35][CH2:39][CH:45]([CH3:3])[CH3:4])=[O:52] |
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