| Properties | Image |
|---|
| MNX_ID | MNXM43100 |
 |
| reference | keggD:D03024 |
| formula | C25H46Cl2N2O |
| global charge | 0 |
| mol weight | 461.562 |
| InChIKey | BZFBDUQOBQHBSZ-DLCQERRASA-N |
| InChI | InChI=1S/C25H44N2O.2ClH/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4;;/h7,19-23,28H,6,8-17H2,1-5H3;2*1H/t19-,20-,21-,22-,23-,24-,25-;;/m0../s1 |
| SMILES | CN(C)CCCN(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.Cl.Cl |
MNX internals
| InChI (mnx) | InChI=1/C25H44N2O.2ClH/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4;;/h7,19-23,28H,6,8-17H2,1-5H3;2*1H/t19-,20-,21-,22-,23-,24-,25-;;/m0../s1 |
 |
| SMILES (mnx) | [CH3:1][C@:24]12[CH2:13][CH2:11][C@H:19]([OH:28])[CH2:17][C:18]1=[CH:7][CH2:8][C@H:20]1[C@@H:21]3[CH2:9][CH2:10][C@H:23]([N:27]([CH3:5])[CH2:16][CH2:6][CH2:15][N:26]([CH3:3])[CH3:4])[C@@:25]3([CH3:2])[CH2:14][CH2:12][C@@H:22]12.[ClH:29].[ClH:30] |
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