| Properties | Image |
|---|
| MNX_ID | MNXM108685 |
 |
| reference | chebi:66163 |
| formula | C20H26O7 |
| global charge | 0 |
| mol weight | 378.421 |
| InChIKey | RIJRPXOHKGHZPR-IZXTZKBJSA-N |
| InChI | InChI=1S/C20H26O7/c1-8-4-10(21)16(24)18(2)9(8)5-12-20-7-26-19(3,11(20)6-13(22)27-12)17(25)14(23)15(18)20/h4,9,11-12,14-17,23-25H,5-7H2,1-3H3/t9-,11-,12+,14?,15+,16+,17?,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[C@@H]45 |
MNX internals
| InChI (mnx) | InChI=1/C20H26O7/c1-8-4-10(21)16(24)18(2)9(8)5-12-20-7-26-19(3,11(20)6-13(22)27-12)17(25)14(23)15(18)20/h4,9,11-12,14-17,23-25H,5-7H2,1-3H3/t9-,11-,12+,14?,15+,16+,17?,18-,19?,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[CH:4][C:10](=[O:21])[C@@H:16]([OH:24])[C@@:18]2([CH3:2])[C@H:9]1[CH2:5][C@@H:12]1[C@@:20]34[CH2:7][O:26][C:19]([CH3:3])([C@@H:11]3[CH2:6][C:13](=[O:22])[O:27]1)[CH:17]([OH:25])[CH:14]([OH:23])[C@H:15]24 |
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