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Ginkgolic Acid
CAS: 22910-60-7 | C22H34O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22910-60-7
Molecular Formula:
C22H34O3
Molecular Mass:
346.51 g/mol
Names and Synonyms:
Ginkgolic Acid
Benzoic acid, 2-hydroxy-6-(8Z)-8-pentadecen-1-yl-
Salicylic acid, 6-(8-pentadecenyl)-, (Z)-
Benzoic acid, 2-hydroxy-6-(8-pentadecenyl)-, (Z)-
Benzoic acid, 2-hydroxy-6-(8Z)-8-pentadecenyl-
2-Hydroxy-6-(8Z)-8-pentadecen-1-ylbenzoic acid
Ginkgolic acid
1-Hydroxy-2-carboxy-3-(pentadecen-8′-yl)benzene
Ginkgoic acid
6-(Z)-8-Pentadecenylsalicylic acid
Romanicardic acid
6-(8Z)-Pentadecenylsalicylic acid
Ginkgolic acid I
Anacardic acid monoene
22:1-ω7-Anacardic acid
Ginkgolic acid 15:1
6-(8-Pentadecenyl)salicylic acid
6-(8′Z-Pentadecenyl)salicylic acid
(15:1)-Anacardic acid
Ginkgolic acid C15:1
Identifiers:
SMILES:
CCCCCC/C=CCCCCCCCc1cccc(O)c1C(=O)O
InChI:
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
Key Properties
Boiling Point
221-223 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
92 °C
CAS Common Chemistry
Density
0.91 g/cm³
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 | 346.51 g/mol | CAS Common Chemistry |
| 346.511 g/mol | RDKit | |
| 346.25079494799996 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9148 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 221-223 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=1C(O)=CC=CC1CCCCCCCC=CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7- | CAS Common Chemistry |
| InChI Key | InChIKey=YXHVCZZLWZYHSA-FPLPWBNLSA-N | CAS Common Chemistry |
| Melting Point | 92 °C | CAS Common Chemistry |
| Name | Ginkgolic acid | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 6.500100000000008 | RDKit |
| Molar Refractivity | 104.37110000000008 | RDKit |
