| Properties | Image |
|---|
| MNX_ID | MNXM1129470 |
 |
| reference | chebi:175446 |
| formula | C20H28O5 |
| global charge | 0 |
| mol weight | 348.439 |
| InChIKey | KVPXGWXTEOVUGO-HKTLJSNGSA-N |
| InChI | InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6-/t12-,14-,15+,16+,19+,20+/m0/s1 |
| SMILES | C=C1COC(=O)[C@]12C[C@@]1(C)[C@H]([C@@H](OC(=O)/C(C)=C\C)CC[C@@H]1C)[C@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6-/t12-,14-,15+,16+,19+,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:6]=[C:11](/[CH3:2])[C:17](=[O:22])[O:25][C@H:14]1[CH2:8][CH2:7][C@H:12]([CH3:3])[C@@:19]2([CH3:5])[CH2:10][C@@:20]3([C:13](=[CH2:4])[CH2:9][O:24][C:18]3=[O:23])[C@H:16]([OH:21])[C@@H:15]12 |
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