Back to Search
8-Deoxygartanin
CAS: 33390-41-9 | C23H24O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33390-41-9
Molecular Formula:
C23H24O5
Molecular Mass:
380.44 g/mol
Names and Synonyms:
8-Deoxygartanin
9H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-
9H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-
Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
8-Deoxygartanin
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)xanthone
8-Desoxygartanin
NSC 692944
Identifiers:
SMILES:
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O
InChI:
InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
Key Properties
Melting Point
165-167 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.44 g/mol | CAS Common Chemistry |
| 380.4400000000001 g/mol | RDKit | |
| 380.1623738679999 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=C(O)C2OC3=C1C(O)=C(C(O)=C3CC=C(C)C)CC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GVQOVMKBYJKZSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165-167 °C | CAS Common Chemistry |
| Name | 8-Deoxygartanin | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 90.90000000000002 Ų | RDKit |
| LogP | 5.080400000000006 | RDKit |
| Molar Refractivity | 111.25440000000005 | RDKit |
