| Properties | Image |
|---|
| MNX_ID | MNXM32753 |
 |
| reference | chebi:79470 |
| formula | C19H24O4 |
| global charge | 0 |
| mol weight | 316.397 |
| InChIKey | YHUCLCNBFMFJFZ-VHBIRMJSSA-N |
| InChI | InChI=1S/C19H24O4/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)17(13)15(21)10-16(22)23-19/h5,7,9,13-15,17,21H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17-,18+,19+/m1/s1 |
| SMILES | C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3[C@@H](O)CC(=O)O[C@@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C19H24O4/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)17(13)15(21)10-16(22)23-19/h5,7,9,13-15,17,21H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17-,18+,19+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:18]12[CH:7]=[CH:5][C:12](=[O:20])[CH:9]=[C:11]1[CH2:3][CH2:4][C@@H:13]1[C@@H:14]2[CH2:6][CH2:8][C@@:19]2([CH3:2])[C@H:17]1[C@@H:15]([OH:21])[CH2:10][C:16](=[O:22])[O:23]2 |
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