| Properties | Image |
|---|
| MNX_ID | MNXM328192 |
 |
| reference | slm:000126913 |
| formula | C47H88O5 |
| global charge | 0 |
| mol weight | 733.216 |
| InChIKey | SBPQUVPFBIRDPR-DRRAXOPBSA-N |
| InChI | InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h12,14,18,27,45,48H,3-11,13,15-17,19-26,28-44H2,1-2H3/b14-12-,27-18-/t45-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h12,14,18,27,45,48H,3-11,13,15-17,19-26,28-44H2,1-2H3/b14-12-,27-18-/t45-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:50])[O:52][C@@H:45]([CH2:43][OH:48])[CH2:44][O:51][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
|