(-)-Glaucarubolone
(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,8,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Also Known As: Glaucarubolone|(-)-Glaucarubolone|tetrahydroxy(trimethyl)[?]dione|KST-1A0010|(1|A,12|A,15|A)-1,11,12,15-tetrahydroxy-11,20-epoxypicras-3-ene-2,16-dione|Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,15-tetrahydroxy-, (1.beta.,11.beta.,12.alpha.,15.beta.)-
| Molecular Formula | C20H26O8 |
|---|---|
| Molecular Weight | 394.16278 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 394.16278 |
| Monoisotopic Mass | 394.16278 |
| Heavy Atoms | 28 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 1990-01-8 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24COC([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)O |
| InChIKey | FJHVIRYYVWNHSM-WHWNBKLNSA-N |
Product Overview
(-)-Glaucarubolone (CAS 1990-01-8), with molecular formula C20H26O8 and molecular weight 394.16278 g/mol. IUPAC: (1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,8,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione.
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