| Properties | Image |
|---|
| MNX_ID | MNXM1100854 |
 |
| reference | chebi:192689 |
| formula | C28H39NO4 |
| global charge | 0 |
| mol weight | 453.623 |
| InChIKey | WJKJBBVBVFTCQK-KYYKPQATSA-N |
| InChI | InChI=1S/C28H39NO4/c1-25(2,32)23-14-21(31)28(15-30)20-10-9-16-13-18-17-7-5-6-8-19(17)29-24(18)27(16,4)26(20,3)12-11-22(28)33-23/h5-8,16,20-23,29-32H,9-15H2,1-4H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1 |
| SMILES | CC(C)(O)[C@@H]1C[C@@H](O)[C@]2(CO)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC4=C(NC5=C4C=CC=C5)[C@@]23C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C28H39NO4/c1-25(2,32)23-14-21(31)28(15-30)20-10-9-16-13-18-17-7-5-6-8-19(17)29-24(18)27(16,4)26(20,3)12-11-22(28)33-23/h5-8,16,20-23,29-32H,9-15H2,1-4H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:25]([CH3:2])([C@@H:23]1[CH2:14][C@@H:21]([OH:31])[C@@:28]2([CH2:15][OH:30])[C@@H:20]3[CH2:10][CH2:9][C@H:16]4[CH2:13][C:18]5=[C:24]([C@:27]4([CH3:4])[C@@:26]3([CH3:3])[CH2:12][CH2:11][C@@H:22]2[O:33]1)[NH:29][C:19]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:17]51)[OH:32] |
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