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Molecule
Eurycomanone
CAS: 84633-29-4 · C20H24O9
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 84633-29-4
- Molecular Formula
- C20H24O9
- Molecular Mass
- 408.40 g/mol
Identifiers
CAS Registry Number
84633-29-4
SMILES
C=C1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](O)[C@@]14O
InChI Key
UCUWZJWAQQRCOR-OKNZMGBLSA-N
InChI
InChI=1S/C20H24O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9,11-14,16,22-24,26-27H,2,5-6H2,1,3H3/t9-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1
Names and Synonyms
- Eurycomanone Common Name
- Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12,14,15-pentahydroxy-, (1β,11β,12α,15β)- Synonym
- 2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picrasa-3,13(21)-diene-2,16-dione deriv. Synonym
- (1β,11β,12α,15β)-11,20-Epoxy-1,11,12,14,15-pentahydroxypicrasa-3,13(21)-diene-2,16-dione Synonym
- Eurycomanone Synonym
- Pasakbumin A Synonym
- NSC 339187 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 408.40 g/mol | CAS Common Chemistry |
| 408.4030000000002 g/mol | RDKit | |
| 408.403 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Eurycomanone | CAS Common Chemistry |
| Canonical SMILES | O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C5(O)OCC24C(O)(C(=C)C5O)C1O)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H24O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9,11-14,16,22-24,26-27H,2,5-6H2,1,3H3/t9-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UCUWZJWAQQRCOR-OKNZMGBLSA-N | CAS Common Chemistry |
| Melting Point | 273-285 °C @ Solvent: Methanol, Diethyl ether | CAS Common Chemistry |
| Name | Eurycomanone | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 153.75 Ų | RDKit |
| LogP | -1.827999999999998 | RDKit |
| -1.828 | RDKit | |
| Molar Refractivity | 93.79300000000002 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 408.14203234799993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 408.40 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H24O9.
