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Ginsenoside K
CAS: 39262-14-1 | C36H62O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39262-14-1
Molecular Formula:
C36H62O8
Molecular Mass:
622.88 g/mol
Names and Synonyms:
Ginsenoside K
β-D-Glucopyranoside, (3β,12β)-3,12-dihydroxydammar-24-en-20-yl
(3β,12β)-3,12-Dihydroxydammar-24-en-20-yl β-D-glucopyranoside
20-O-β-D-Glucopyranosyl-20(S)-protopanaxadiol
Ginsenoside K
IH 901
Protopanaxadiol 20-O-glucoside
20(S)-Protopanaxadiol 20-O-D-glucopyranoside
Ginsenoside C-K
20-O-β-Glucopyranosyl-20(S)-protopanaxadiol
Ginsenoside compound K
20(S)-Protopanaxadiol 20-O-β-D-glucopyranoside
Ginsenoside IH901
Ginsenoside M1
Ginsenoside metabolite M1
Compound k
3-O-Deglucosylginsenoside F2
LCHK 168
20S-Protopanaxadiol 20-O-β-D-glucopyranoside
NT3 VAN SC6
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]3CC[C@]12C
InChI:
InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1
Key Properties
Melting Point
181-183 °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 | 622.88 g/mol | CAS Common Chemistry |
| 622.8840000000001 g/mol | RDKit | |
| 622.444468944 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC(C)(CCC=C(C)C)C2CCC3(C)C2C(O)CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FVIZARNDLVOMSU-IRFFNABBSA-N | CAS Common Chemistry |
| Melting Point | 181-183 °C | CAS Common Chemistry |
| Name | Ginsenoside K | CAS Common Chemistry |
| Heavy Atom Count | 44 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 139.84 Ų | RDKit |
| LogP | 4.324800000000002 | RDKit |
| Molar Refractivity | 168.3167999999996 | RDKit |
