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Molecule
Ginsenoside Rh4
CAS: 174721-08-5 · C36H60O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 174721-08-5
- Molecular Formula
- C36H60O8
- Molecular Mass
- 620.87 g/mol
Identifiers
CAS Registry Number
174721-08-5
SMILES
CC(C)=CC/C=C(C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
InChI Key
OZTXYFOXQFKYRP-TXRYYSRHSA-N
InChI
InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1
Names and Synonyms
- Ginsenoside Rh4 Synonym
- β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-dihydroxydammara-20(22),24-dien-6-yl Synonym
- (3β,6α,12β,20E)-3,12-Dihydroxydammara-20(22),24-dien-6-yl β-D-glucopyranoside Synonym
- Ginsenoside Rh4 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 620.87 g/mol | CAS Common Chemistry |
| 620.8680000000003 g/mol | RDKit | |
| 620.868 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC2CC3(C)C(CC(O)C4C(C(=CCC=C(C)C)C)CCC43C)C5(C)CCC(O)C(C)(C)C25)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OZTXYFOXQFKYRP-TXRYYSRHSA-N | CAS Common Chemistry |
| Name | Ginsenoside Rh4 | CAS Common Chemistry |
| Heavy Atom Count | 44 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 139.84 Ų | RDKit |
| LogP | 4.100800000000001 | RDKit |
| 4.1008 | RDKit | |
| Molar Refractivity | 168.22279999999972 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 620.4288188799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 620.87 g/mol. Edit any field — others recompute live.
