| Properties | Image |
|---|
| MNX_ID | MNXM107340 |
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| reference | chebi:70422 |
| formula | C33H46N2O4 |
| global charge | 0 |
| mol weight | 534.741 |
| InChIKey | FBMFMDSVTBIJPB-FBYPXBRWSA-N |
| InChI | InChI=1S/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38)/t20-,23+,24-,25+,26-,27-,28-,30+,31+,32-,33?/m0/s1 |
| SMILES | C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C5(C=C[C@H](NC(=O)C6=CC=CC=C6)[C@@]4(C)CO5)CC3=CC[C@]12C)N(C)C |
MNX internals
| InChI (mnx) | InChI=1/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38)/t20-,23+,24-,25+,26-,27-,28-,30+,31+,32-,33?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:20]([C@H:27]1[C@H:25]([OH:37])[CH2:18][C@@:32]2([CH3:4])[C@@H:23]3[CH2:16][C@H:24]([OH:36])[C@H:28]4[C@:30]5([CH3:2])[CH2:19][O:39][C:33]4([CH:15]=[CH:13][C@@H:26]5[N:34]=[C:29]([C:21]4=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]4)[OH:38])[CH2:17][C:22]3=[CH:12][CH2:14][C@:31]12[CH3:3])[N:35]([CH3:5])[CH3:6] |
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