| Properties | Image |
|---|
| MNX_ID | MNXM320483 |
 |
| reference | slm:000124398 |
| formula | C45H72O5 |
| global charge | 0 |
| mol weight | 693.066 |
| InChIKey | KYJNEZPZYLLCOU-DYKCSUPLSA-N |
| InChI | InChI=1S/C45H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-26,43,46H,3-4,9-10,15-16,20,23,27-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-18-,26-24-/t43-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C45H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-26,43,46H,3-4,9-10,15-16,20,23,27-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-18-,26-24-/t43-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:48])[O:50][C@@H:43]([CH2:41][OH:46])[CH2:42][O:49][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27]/[CH:25]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:47] |
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