| Properties | Image |
|---|
| MNX_ID | MNXM113739 |
 |
| reference | chebi:66275 |
| formula | C20H30O3 |
| global charge | 0 |
| mol weight | 318.457 |
| InChIKey | KLMZPLYXGZZBCX-TYOHIEAGSA-N |
| InChI | InChI=1S/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17+,18+,19+,20-/m1/s1 |
| SMILES | C[C@]1(O)C[C@@]23CC[C@H]4[C@]5(CCC[C@]4(C)C(=O)OC5)[C@H]2CC[C@@H]1C3 |
MNX internals
| InChI (mnx) | InChI=1/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15+,17+,18+,19+,20-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:17]12[CH2:7][CH2:3][CH2:8][C@@:20]3([CH2:12][O:23][C:16]1=[O:21])[C@@H:14]2[CH2:6][CH2:9][C@@:19]12[CH2:10][C@@H:13]([CH2:4][CH2:5][C@@H:15]13)[C@@:18]([CH3:2])([OH:22])[CH2:11]2 |
|