| Properties | Image |
|---|
| MNX_ID | MNXM97457 |
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| reference | metacycM:CPD-14289 |
| formula | C33H56 |
| global charge | 0 |
| mol weight | 452.811 |
| InChIKey | GUAPAZWRZCOQGT-JQUYWNEBSA-N |
| InChI | InChI=1S/C33H56/c1-13-33(12,23-14-15-27(6)16-18-29(8)25(2)3)24-22-28(7)17-19-31(10)32(11)21-20-30(9)26(4)5/h13,15,22,24,28-31H,1-2,4,11,14,16-21,23H2,3,5-10,12H3/b24-22+,27-15+ |
| SMILES | C=CC(C)(/C=C/C(C)CCC(C)C(=C)CCC(C)C(=C)C)CC/C=C(\C)CCC(C)C(=C)C |
MNX internals
| InChI (mnx) | InChI=1/C33H56/c1-13-33(12,23-14-15-27(6)16-18-29(8)25(2)3)24-22-28(7)17-19-31(10)32(11)21-20-30(9)26(4)5/h13,15,22,24,28-31H,1-2,4,11,14,16-21,23H2,3,5-10,12H3/b24-22+,27-15+/t28?,29?,30?,31?,33? |
 |
| SMILES (mnx) | [CH2:1]=[CH:13][C:33]([CH3:12])([CH2:23][CH2:14]/[CH:15]=[C:27](\[CH3:6])[CH2:16][CH2:18][CH:29]([CH3:8])[C:25](=[CH2:2])[CH3:3])/[CH:24]=[CH:22]/[CH:28]([CH3:7])[CH2:17][CH2:19][CH:31]([CH3:10])[C:32](=[CH2:11])[CH2:21][CH2:20][CH:30]([CH3:9])[C:26](=[CH2:4])[CH3:5] |
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