| Properties | Image |
|---|
| MNX_ID | MNXM1129221 |
 |
| reference | chebi:172093 |
| formula | C30H51BrN2O3 |
| global charge | 0 |
| mol weight | 567.653 |
| InChIKey | KJLODZNGZVUFDC-DSBFZBMTSA-M |
| InChI | InChI=1S/C30H51N2O3.BrH/c1-4-13-32(14-5-6-15-32)26-19-24-22-8-7-21-18-27(33)25(31-11-16-35-17-12-31)20-30(21,3)23(22)9-10-29(24,2)28(26)34;/h4,21-28,33-34H,1,5-20H2,2-3H3;1H/q+1;/p-1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1 |
| SMILES | C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CCCC1.[Br-] |
MNX internals
| InChI (mnx) | InChI=1/C30H51N2O3.BrH/c1-4-13-32(14-5-6-15-32)26-19-24-22-8-7-21-18-27(33)25(31-11-16-35-17-12-31)20-30(21,3)23(22)9-10-29(24,2)28(26)34;/h4,21-28,33-34H,1,5-20H2,2-3H3;1H/q+1;/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1 |
 |
| SMILES (mnx) | [BrH:36].[CH2:1]=[CH:4][CH2:13][N+:32]1([C@H:26]2[CH2:19][C@H:24]3[C@@H:22]4[CH2:8][CH2:7][C@H:21]5[CH2:18][C@H:27]([OH:33])[C@@H:25]([N:31]6[CH2:11][CH2:16][O:35][CH2:17][CH2:12]6)[CH2:20][C@:30]5([CH3:3])[C@H:23]4[CH2:9][CH2:10][C@:29]3([CH3:2])[C@H:28]2[OH:34])[CH2:14][CH2:5][CH2:6][CH2:15]1 |
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