Back to Search
(+)-Yangambin
CAS: 13060-14-5 | C24H30O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13060-14-5
Molecular Formula:
C24H30O8
Molecular Mass:
446.50 g/mol
Names and Synonyms:
(+)-Yangambin
1H,3H-Furo[3,4-c]furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-
Yangambin
1H,3H-Furo[3,4-c]furan, 3aα,4,6,6aα-tetrahydro-1α,4α-bis(3,4,5-trimethoxyphenyl)-
1H,3H-Furo[3,4-c]furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, [1S-(1α,3aα,4α,6aα)]-
Lirioresinol B, dimethyl-
(1S,3aR,4S,6aR)-Tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan
(+)-O,O-Dimethyllirioresinol B
Lirioresinol B, O,O-dimethyl-
Lirioresinol B dimethyl ether
O,O-Dimethyllirioresinol B
(+)-Yangambin
(+)-Yangabin
Yangabin
Identifiers:
SMILES:
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChI:
InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1
Key Properties
Melting Point
105-106 °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 | 446.50 g/mol | CAS Common Chemistry |
| 446.49600000000027 g/mol | RDKit | |
| 446.1940679199999 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=C(C=C(OC)C1OC)C2OCC3C(OCC23)C4=CC(OC)=C(OC)C(OC)=C4)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HRLFUIXSXUASEX-RZTYQLBFSA-N | CAS Common Chemistry |
| Melting Point | 105-106 °C | CAS Common Chemistry |
| Name | (+)-Yangambin | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 73.84000000000002 Ų | RDKit |
| LogP | 3.8134000000000023 | RDKit |
| Molar Refractivity | 116.56200000000007 | RDKit |
