| Properties | Image |
|---|
| MNX_ID | MNXM32956 |
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| reference | chebi:53754 |
| formula | C45H73NO4 |
| global charge | 0 |
| mol weight | 692.082 |
| InChIKey | CPKBKILETSRLMG-XEKZTXPJSA-N |
| InChI | InChI=1S/C45H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44(47)49-41-43(40-46-42-36-32-31-33-37-42)50-45(48)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,31-33,36-37,43,46H,3-5,7,9-11,13,15-16,21-30,34-35,38-41H2,1-2H3/b8-6-,14-12-,19-17-,20-18- |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CNC1=CC=CC=C1)COC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44(47)49-41-43(40-46-42-36-32-31-33-37-42)50-45(48)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,31-33,36-37,43,46H,3-5,7,9-11,13,15-16,21-30,34-35,38-41H2,1-2H3/b8-6-,14-12-,19-17-,20-18-/t43? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:34][CH2:38][C:44](=[O:47])[O:49][CH2:41][CH:43]([CH2:40][NH:46][C:42]1=[CH:36][CH:32]=[CH:31][CH:33]=[CH:37]1)[O:50][C:45]([CH2:39][CH2:35][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:48] |
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