| Properties | Image |
|---|
| MNX_ID | MNXM185388 |
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| reference | slm:000129198 |
| formula | C49H90O5 |
| global charge | 0 |
| mol weight | 759.254 |
| InChIKey | XDPPZGAKUPDDSA-HBDJLYGVSA-N |
| InChI | InChI=1S/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,47,50H,3-11,13,15-17,19,21-24,26,28-46H2,1-2H3/b14-12-,20-18-,27-25-/t47-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,47,50H,3-11,13,15-17,19,21-24,26,28-46H2,1-2H3/b14-12-,20-18-,27-25-/t47-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:52])[O:54][C@@H:47]([CH2:45][OH:50])[CH2:46][O:53][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:25]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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