Back to Search
Molecule
Ganoderic Acid G
CAS: 98665-22-6 · C30H44O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 98665-22-6
- Molecular Formula
- C30H44O8
- Molecular Mass
- 532.67 g/mol
Identifiers
CAS Registry Number
98665-22-6
SMILES
CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O
InChI Key
BPJPBLZKOVIJQD-UHFFFAOYSA-N
InChI
InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)
Names and Synonyms
- Ganoderic Acid G Common Name
- Lanost-8-en-26-oic acid, 3,7,12-trihydroxy-11,15,23-trioxo-, (3β,7β,12β)- Synonym
- (3β,7β,12β)-3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid Synonym
- Ganoderic acid G Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 532.67 g/mol | CAS Common Chemistry |
| 532.6740000000003 g/mol | RDKit | |
| 532.674 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(C)CC(=O)CC(C)C1CC(=O)C2(C3=C(C(=O)C(O)C12C)C4(C)CCC(O)C(C)(C)C4CC3O)C | CAS Common Chemistry |
| InChI | InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38) | CAS Common Chemistry |
| InChI Key | InChIKey=BPJPBLZKOVIJQD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 224-226 °C | CAS Common Chemistry |
| Name | Ganoderic acid G | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 149.2 Ų | RDKit |
| LogP | 3.102300000000001 | RDKit |
| 3.1023 | RDKit | |
| Molar Refractivity | 138.81519999999998 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 532.3036183679999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 532.67 g/mol. Edit any field — others recompute live.
