| Properties | Image |
|---|
| MNX_ID | MNXM103349 |
 |
| reference | chebi:70425 |
| formula | C28H48N2O |
| global charge | 0 |
| mol weight | 428.705 |
| InChIKey | MALAIGCWTXNVKA-DVSVOVCNSA-N |
| InChI | InChI=1S/C28H48N2O/c1-18(29(6)7)25-23(31)17-28(5)22-12-11-21-19(16-20(22)14-15-27(25,28)4)10-13-24(30(8)9)26(21,2)3/h14,16,18,21-25,31H,10-13,15,17H2,1-9H3/t18-,21+,22+,23+,24-,25-,27+,28-/m0/s1 |
| SMILES | C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H48N2O/c1-18(29(6)7)25-23(31)17-28(5)22-12-11-21-19(16-20(22)14-15-27(25,28)4)10-13-24(30(8)9)26(21,2)3/h14,16,18,21-25,31H,10-13,15,17H2,1-9H3/t18-,21+,22+,23+,24-,25-,27+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]([C@H:25]1[C@H:23]([OH:31])[CH2:17][C@@:28]2([CH3:5])[C@@H:22]3[CH2:12][CH2:11][C@@H:21]4[C:19](=[CH:16][C:20]3=[CH:14][CH2:15][C@:27]12[CH3:4])[CH2:10][CH2:13][C@H:24]([N:30]([CH3:8])[CH3:9])[C:26]4([CH3:2])[CH3:3])[N:29]([CH3:6])[CH3:7] |
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