| Properties | Image |
|---|
| MNX_ID | MNXM45281 |
 |
| reference | chebi:3321 |
| formula | C20H28O4 |
| global charge | 0 |
| mol weight | 332.44 |
| InChIKey | USEISAATSWUIGG-MVHCQYFOSA-N |
| InChI | InChI=1S/C20H28O4/c1-17(2)7-6-8-19(5)13(17)9-12(21)11-10-20(18(3,4)23)16(24-20)15(22)14(11)19/h13,16,23H,6-10H2,1-5H3/t13-,16+,19-,20-/m0/s1 |
| SMILES | CC1(C)CCC[C@]2(C)C3=C(C[C@]4(C(C)(C)O)O[C@@H]4C3=O)C(=O)C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C20H28O4/c1-17(2)7-6-8-19(5)13(17)9-12(21)11-10-20(18(3,4)23)16(24-20)15(22)14(11)19/h13,16,23H,6-10H2,1-5H3/t13-,16+,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]1([CH3:2])[CH2:7][CH2:6][CH2:8][C@@:19]2([CH3:5])[C@H:13]1[CH2:9][C:12](=[O:21])[C:11]1=[C:14]2[C:15](=[O:22])[C@@H:16]2[C@:20]([C:18]([CH3:3])([CH3:4])[OH:23])([CH2:10]1)[O:24]2 |
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