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Ginsenoside Rg6
CAS: 147419-93-0 | C42H70O12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
147419-93-0
Molecular Formula:
C42H70O12
Molecular Mass:
767.01 g/mol
Names and Synonyms:
Ginsenoside Rg6
β-D-Glucopyranoside, (3β,6α,12β)-3,12-dihydroxydammara-20,24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
(3β,6α,12β)-3,12-Dihydroxydammara-20,24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Ginsenoside Rg6
Δ-20(21)-Ginsenoside Rg6
Ginsenoside Rg6
Identifiers:
SMILES:
C=C(CCC=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@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C
InChI:
InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11,22-38,43-50H,3,10,12-19H2,1-2,4-9H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1
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 | 767.01 g/mol | CAS Common Chemistry |
| 767.0100000000004 g/mol | RDKit | |
| 766.4867276800001 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC2CC3(C)C(CC(O)C4C(C(=C)CCC=C(C)C)CCC43C)C5(C)CCC(O)C(C)(C)C25)C(OC6OC(C)C(O)C(O)C6O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11,22-38,43-50H,3,10,12-19H2,1-2,4-9H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZVTVWDXRNMHGNY-JOGTXEPTSA-N | CAS Common Chemistry |
| Name | Ginsenoside Rg6 | CAS Common Chemistry |
| Heavy Atom Count | 54 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 198.75999999999996 Ų | RDKit |
| LogP | 2.9526000000000003 | RDKit |
| Molar Refractivity | 199.44439999999938 | RDKit |
