| Properties | Image |
|---|
| MNX_ID | MNXM1100895 |
 |
| reference | seedM:cpd35560 |
| formula | C26H33N2O |
| global charge | 1 |
| mol weight | 389.563 |
| InChIKey | KMQFVFBVROIRDV-XQHQYKGYSA-N |
| InChI | InChI=1S/C26H33N2O/c1-9-23(3,4)21-20-19-16(12-11-13-17(19)28-21)24(5,6)18-14-15-25(7,10-2)22(27-8)26(18,20)29/h8-13,18,22,28-29H,1-2,14-15H2,3-7H3/q+1/t18-,22+,25+,26-/m1/s1 |
| SMILES | C#[N+][C@@H]1[C@]2(O)C3=C(C(C)(C)C=C)NC4=CC=CC(=C43)C(C)(C)[C@H]2CC[C@]1(C)C=C |
MNX internals
| InChI (mnx) | InChI=1/C26H33N2O/c1-9-23(3,4)21-20-19-16(12-11-13-17(19)28-21)24(5,6)18-14-15-25(7,10-2)22(27-8)26(18,20)29/h8-13,18,22,28-29H,1-2,14-15H2,3-7H3/q+1/t18-,22+,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:9][C:23]([CH3:3])([CH3:4])[C:21]1=[C:20]2[C:19]3=[C:16]([CH:12]=[CH:11][CH:13]=[C:17]3[NH:28]1)[C:24]([CH3:5])([CH3:6])[C@H:18]1[CH2:14][CH2:15][C@:25]([CH3:7])([CH:10]=[CH2:2])[C@H:22]([N+:27]#[CH:8])[C@@:26]12[OH:29] |
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