| Properties | Image |
|---|
| MNX_ID | MNXM101491 |
 |
| reference | chebi:69828 |
| formula | C20H26O5 |
| global charge | 0 |
| mol weight | 346.423 |
| InChIKey | ORPHDWFMIUUKJM-MCDHERAVSA-N |
| InChI | InChI=1S/C20H26O5/c1-17(2)6-4-7-18(3)11(17)5-8-19-13(18)15-20(24-15)12(14(19)23-19)10(9-21)16(22)25-20/h11,13-15,21H,4-9H2,1-3H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1 |
| SMILES | CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13O[C@@H]1C1=C(CO)C(=O)O[C@]14O[C@@H]4[C@@H]23 |
MNX internals
| InChI (mnx) | InChI=1/C20H26O5/c1-17(2)6-4-7-18(3)11(17)5-8-19-13(18)15-20(24-15)12(14(19)23-19)10(9-21)16(22)25-20/h11,13-15,21H,4-9H2,1-3H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]1([CH3:2])[CH2:6][CH2:4][CH2:7][C@:18]2([CH3:3])[C@@H:11]1[CH2:5][CH2:8][C@:19]13[C@H:13]2[C@@H:15]2[C@:20]4([C:12](=[C:10]([CH2:9][OH:21])[C:16](=[O:22])[O:25]4)[C@H:14]1[O:23]3)[O:24]2 |
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