| Properties | Image |
|---|
| MNX_ID | MNXM109211 |
 |
| reference | chebi:66211 |
| formula | C37H49NO5 |
| global charge | 0 |
| mol weight | 587.801 |
| InChIKey | LLRYILBJBZFIRA-YPNCZJMTSA-N |
| InChI | InChI=1S/C37H49NO5/c1-20(2)12-13-22-10-9-11-25-28(22)24-19-23-14-17-36(39)34(7,35(23,8)30(24)38-25)16-15-26-37(36)32(43-37)29-31(40-26)33(5,6)42-27(41-29)18-21(3)4/h9-12,18,23,26-27,29,31-32,38-39H,13-17,19H2,1-8H3/t23-,26-,27-,29+,31-,32+,34+,35+,36-,37-/m0/s1 |
| SMILES | CC(C)=CCC1=CC=CC2=C1C1=C(N2)[C@@]2(C)[C@@H](CC[C@@]3(O)[C@@]45O[C@@H]4[C@@H]4O[C@H](C=C(C)C)OC(C)(C)[C@H]4O[C@H]5CC[C@@]32C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C37H49NO5/c1-20(2)12-13-22-10-9-11-25-28(22)24-19-23-14-17-36(39)34(7,35(23,8)30(24)38-25)16-15-26-37(36)32(43-37)29-31(40-26)33(5,6)42-27(41-29)18-21(3)4/h9-12,18,23,26-27,29,31-32,38-39H,13-17,19H2,1-8H3/t23-,26-,27-,29+,31-,32+,34+,35+,36-,37-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:12][CH2:13][C:22]1=[C:28]2[C:24]3=[C:30]([C@@:35]4([CH3:8])[C@@H:23]([CH2:14][CH2:17][C@:36]5([OH:39])[C@:34]4([CH3:7])[CH2:16][CH2:15][C@H:26]4[C@:37]56[C@@H:32]([C@H:29]5[C@@H:31]([C:33]([CH3:5])([CH3:6])[O:42][C@@H:27]([CH:18]=[C:21]([CH3:3])[CH3:4])[O:41]5)[O:40]4)[O:43]6)[CH2:19]3)[NH:38][C:25]2=[CH:11][CH:9]=[CH:10]1 |
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