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Ginsenoside Rg1
CAS: 22427-39-0 | C42H72O14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22427-39-0
Molecular Formula:
C42H72O14
Molecular Mass:
801.02 g/mol
Names and Synonyms:
Ginsenoside Rg1
β-D-Glucopyranoside, (3β,6α,12β)-3,12-dihydroxydammar-24-ene-6,20-diyl bis-
Ginsenoside Rg1
Panaxoside A
Dammarane, β-D-glucopyranoside deriv.
(3β,6α,12β)-3,12-Dihydroxydammar-24-ene-6,20-diyl bis-β-D-glucopyranoside
Sanchinoside C1
Ginsenoside A2
Panaxoside Rg1
Ginsenoside g1
Sanchinoside Rg1
Panaxsaponin Rg1
Rg1 ginsenoside
Rg1 ginsenoside
Identifiers:
SMILES:
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[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:
InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
Key Properties
Melting Point
191-194 °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 | 801.02 g/mol | CAS Common Chemistry |
| 801.0240000000005 g/mol | RDKit | |
| 800.4922069840002 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC43C)C(OC5OC(CO)C(O)C(O)C5O)(C)CCC=C(C)C)C6(C)CCC(O)C(C)(C)C26)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YURJSTAIMNSZAE-HHNZYBFYSA-N | CAS Common Chemistry |
| Melting Point | 191-194 °C | CAS Common Chemistry |
| Name | Ginsenoside Rg1 | CAS Common Chemistry |
| Heavy Atom Count | 56 | RDKit |
| Hydrogen Bond Acceptors | 14 | RDKit |
| Hydrogen Bond Donors | 10 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 239.21999999999994 Ų | RDKit |
| LogP | 1.1198000000000017 | RDKit |
| Molar Refractivity | 202.33999999999938 | RDKit |
