3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide
3-[(3S,5S,7S,10S,14R,15R,18R)-7,18-dihydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Also Known As: Tanghinigenin, 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide, 7-beta,8-Epoxy-3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, (8xi,9xi)-3beta,14-Dihydroxy-5beta,7beta-7,8-epoxycard-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 7-beta,8-EPOXY-3-beta,14-DIHYDROXY-, Card-2o(22)-enolide, 7,8-epoxy-3,14-dihydroxy-, (3beta,5beta,7beta)-, Card-20(22)-enolide, 7,8-epoxy-3,14-dihydroxy-, (3-beta,5-beta,7-beta)-
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22498 g/mol |
| LogP | 2.74 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 777 |
Chemical Identifiers
| CAS Number | 6875-16-7 |
|---|---|
| SMILES | C[C@]12CCC3[C@]4(CC[C@@H](C[C@H]4C[C@H]5C3([C@]1(CC[C@@H]2C6=CC(=O)OC6)O)O5)O)C |
Product Overview
3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide (CAS 6875-16-7), with molecular formula C23H32O5 and molecular weight 388.22498 g/mol. IUPAC: 3-[(3S,5S,7S,10S,14R,15R,18R)-7,18-dihydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one.
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