| Properties | Image |
MNX_ID | MNXM39558 |
 |
reference | chebi:50296 |
formula | C22H34O6 |
global charge | 0 |
mol weight | 394.508 |
InChIKey | SUZLHDUTVMZSEV-WESICCPUSA-N |
InChI | InChI=1S/C22H34O6/c1-8-20(5)11-13(24)16-21(6)14(25)9-10-19(3,4)17(21)15(26)18(27-12(2)23)22(16,7)28-20/h8,14-18,25-26H,1,9-11H2,2-7H3/t14-,15-,16+,17-,18-,20-,21+,22-/m0/s1 |
SMILES | C=C[C@@]1(C)CC(=O)[C@H]2[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C |
MNX internals
InChI (mnx) | InChI=1/C22H34O6/c1-8-20(5)11-13(24)16-21(6)14(25)9-10-19(3,4)17(21)15(26)18(27-12(2)23)22(16,7)28-20/h8,14-18,25-26H,1,9-11H2,2-7H3/t14-,15-,16+,17-,18-,20-,21+,22-/m0/s1 |
 |
SMILES (mnx) | [CH2:1]=[CH:8][C@@:20]1([CH3:5])[CH2:11][C:13](=[O:24])[C@@H:16]2[C@@:21]3([CH3:6])[C@@H:14]([OH:25])[CH2:9][CH2:10][C:19]([CH3:3])([CH3:4])[C@@H:17]3[C@H:15]([OH:26])[C@H:18]([O:27][C:12]([CH3:2])=[O:23])[C@@:22]2([CH3:7])[O:28]1 |
|