| Properties | Image |
|---|
| MNX_ID | MNXM1371977 |
 |
| reference | seedM:cpd08587 |
| formula | C21H27N2O3 |
| global charge | 1 |
| mol weight | 355.458 |
| InChIKey | UXHDPKGPDXVGAN-VZCYSZBISA-O |
| InChI | InChI=1S/C21H26N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-4,6-7,13-14,19,24H,5,8-12H2,1-2H3/p+1/t13?,14?,19-,20-,21-/m0/s1 |
| SMILES | COC(=O)C1C[C@]2(C(C)O)CCC[NH+]3CC[C@@]4(C5=CC=CC=C5N=C14)[C@@H]32 |
MNX internals
| InChI (mnx) | InChI=1/C21H26N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-4,6-7,13-14,19,24H,5,8-12H2,1-2H3/t13?,14?,19-,20-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([C@:20]12[CH2:8][CH2:5][CH2:10][N:23]3[CH2:11][CH2:9][C@@:21]4([C:15]5=[CH:6][CH:3]=[CH:4][CH:7]=[C:16]5[N:22]=[C:17]4[CH:14]([C:18](=[O:25])[O:26][CH3:2])[CH2:12]1)[C@H:19]23)[OH:24] |
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