| Properties | Image |
|---|
| MNX_ID | MNXM106326 |
 |
| reference | chebi:69145 |
| formula | C42H48N4O4 |
| global charge | 0 |
| mol weight | 672.87 |
| InChIKey | DNJGHPRRCVYEAK-USFITAIASA-N |
| InChI | InChI=1S/C42H48N4O4/c1-21(47)29-18-48-19-30-24(29)14-36-41-27(17-34(30)43(36)3)23-11-12-38-28(39(23)46(41)6)13-32-25-15-37-40-26(22-9-7-8-10-33(22)45(40)5)16-35(44(37)4)31(25)20-49-42(32,2)50-38/h7-12,18,24-25,30-32,34-37H,13-17,19-20H2,1-6H3/t24-,25+,30+,31+,32-,34-,35-,36-,37-,42-/m0/s1 |
| SMILES | CC(=O)C1=COC[C@@H]2[C@H]1C[C@H]1C3=C(C[C@@H]2N1C)C1=C(C2=C(C=C1)O[C@]1(C)OC[C@@H]4[C@@H](C[C@H]5C6=C(C[C@@H]4N5C)C4=CC=CC=C4N6C)[C@@H]1C2)N3C |
MNX internals
| InChI (mnx) | InChI=1/C42H48N4O4/c1-21(47)29-18-48-19-30-24(29)14-36-41-27(17-34(30)43(36)3)23-11-12-38-28(39(23)46(41)6)13-32-25-15-37-40-26(22-9-7-8-10-33(22)45(40)5)16-35(44(37)4)31(25)20-49-42(32,2)50-38/h7-12,18,24-25,30-32,34-37H,13-17,19-20H2,1-6H3/t24-,25+,30+,31+,32-,34-,35-,36-,37-,42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21]([C:29]1=[CH:18][O:48][CH2:19][C@@H:30]2[C@H:24]1[CH2:14][C@H:36]1[C:41]3=[C:27]([CH2:17][C@@H:34]2[N:43]1[CH3:3])[C:23]1=[CH:11][CH:12]=[C:38]2[C:28](=[C:39]1[N:46]3[CH3:6])[CH2:13][C@H:32]1[C@@H:25]3[CH2:15][C@H:37]4[C:40]5=[C:26]([CH2:16][C@@H:35]([C@@H:31]3[CH2:20][O:49][C@@:42]1([CH3:2])[O:50]2)[N:44]4[CH3:4])[C:22]1=[CH:9][CH:7]=[CH:8][CH:10]=[C:33]1[N:45]5[CH3:5])=[O:47] |
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