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Molecule
Ginkgolic Acid
CAS: 22910-60-7 · C22H34O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22910-60-7
- Molecular Formula
- C22H34O3
- Molecular Mass
- 346.51 g/mol
Identifiers
CAS Registry Number
22910-60-7
SMILES
CCCCCC/C=CCCCCCCCc1cccc(O)c1C(=O)O
InChI Key
YXHVCZZLWZYHSA-FPLPWBNLSA-N
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-
Names and Synonyms
- Ginkgolic Acid Common Name
- Benzoic acid, 2-hydroxy-6-(8Z)-8-pentadecen-1-yl- Synonym
- Salicylic acid, 6-(8-pentadecenyl)-, (Z)- Synonym
- Benzoic acid, 2-hydroxy-6-(8-pentadecenyl)-, (Z)- Synonym
- Benzoic acid, 2-hydroxy-6-(8Z)-8-pentadecenyl- Synonym
- 2-Hydroxy-6-(8Z)-8-pentadecen-1-ylbenzoic acid Synonym
- Ginkgolic acid Synonym
- 1-Hydroxy-2-carboxy-3-(pentadecen-8′-yl)benzene Synonym
- Ginkgoic acid Synonym
- 6-(Z)-8-Pentadecenylsalicylic acid Synonym
- Romanicardic acid Synonym
- 6-(8Z)-Pentadecenylsalicylic acid Synonym
- Ginkgolic acid I Synonym
- Anacardic acid monoene Synonym
- 22:1-ω7-Anacardic acid Synonym
- Ginkgolic acid 15:1 Synonym
- 6-(8-Pentadecenyl)salicylic acid Synonym
- 6-(8′Z-Pentadecenyl)salicylic acid Synonym
- (15:1)-Anacardic acid Synonym
- Ginkgolic acid C15:1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.51 g/mol | CAS Common Chemistry |
| 346.511 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9148 g/cm3 @ 20 °C | 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 |
| 6.5001 | RDKit | |
| 5.98 | chempirical lib | |
| Molar Refractivity | 104.37110000000008 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5909 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 346.25079494799996 g/mol | RDKit |
| Boiling Point | 221-223 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| 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 = 346.51 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
