| Properties | Image |
|---|
| MNX_ID | MNXM108686 |
 |
| reference | chebi:66164 |
| formula | C20H26O8 |
| global charge | 0 |
| mol weight | 394.42 |
| InChIKey | KDVYRSSTPWSAJC-YFFWPIBBSA-N |
| InChI | InChI=1S/C20H26O8/c1-7-4-9(21)15(24)18(2)8(7)5-10-20-6-27-19(3,16(25)11(22)13(18)20)14(20)12(23)17(26)28-10/h4,8,10-16,22-25H,5-6H2,1-3H3/t8-,10+,11?,12+,13+,14-,15+,16?,18-,19?,20+/m0/s1 |
| SMILES | CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@H](O)[C@H](O)[C@@]4(C)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@H]45 |
MNX internals
| InChI (mnx) | InChI=1/C20H26O8/c1-7-4-9(21)15(24)18(2)8(7)5-10-20-6-27-19(3,16(25)11(22)13(18)20)14(20)12(23)17(26)28-10/h4,8,10-16,22-25H,5-6H2,1-3H3/t8-,10+,11?,12+,13+,14-,15+,16?,18-,19?,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[CH:4][C:9](=[O:21])[C@@H:15]([OH:24])[C@@:18]2([CH3:2])[C@H:8]1[CH2:5][C@@H:10]1[C@@:20]34[CH2:6][O:27][C:19]([CH3:3])([C@@H:14]3[C@@H:12]([OH:23])[C:17](=[O:26])[O:28]1)[CH:16]([OH:25])[CH:11]([OH:22])[C@H:13]24 |
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